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US20220013730A1-20220113-C00183
CSc1ncc(Br)c(N)n1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
1, 1, 0, 1, 0, 0, 0, 0, 0, 0
Group:Rings
US20220013730A1-20220113-C00183
CSc1ncc(Br)c(N)n1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
3.080, 283.396, 9.138, 5.647, 1.528, 3.156, 0.886, 2.007, 0.441, 0.968, 5.372, 3.205, 1.604, 0.200, 2
Group:Topology
US20220013730A1-20220113-C00183
CSc1ncc(Br)c(N)n1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
4, 1, 2, 3, 5, 51.800, 74.492
Group:Polarity
US20210005821A1-20210107-C00276
Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c3c(c4oc5ccccc5c4c1-2)-c1ccc(Br)cc1C3(c1ccccc1)c1ccccc1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
11, 9, 8, 1, 2, 2, 0, 0, 0, 0
Group:Rings
US20210005821A1-20210107-C00276
Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c3c(c4oc5ccccc5c4c1-2)-c1ccc(Br)cc1C3(c1ccccc1)c1ccccc1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.503, 2816.382, 35.313, 26.129, 14.146, 15.498, 11.710, 12.438, 9.879, 10.412, 30.910, 11.413, 3.976, 0.040, 4
Group:Topology
US20210005821A1-20210107-C00276
Clc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c3c(c4oc5ccccc5c4c1-2)-c1ccc(Br)cc1C3(c1ccccc1)c1ccccc1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
1, 0, 0, 1, 3, 13.140, 320.821
Group:Polarity
US20180250283A1-20180906-C00024
O=C1C(Br)CCN1Cc1ccc(Cl)c(F)c1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
2, 1, 1, 0, 1, 0, 1, 1, 0, 1
Group:Rings
US20180250283A1-20180906-C00024
O=C1C(Br)CCN1Cc1ccc(Cl)c(F)c1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
2.096, 426.446, 11.707, 7.575, 3.764, 5.277, 2.590, 3.746, 1.716, 2.328, 11.863, 4.716, 2.380, 0.364, 2
Group:Topology
US20180250283A1-20180906-C00024
O=C1C(Br)CCN1Cc1ccc(Cl)c(F)c1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
1, 0, 0, 2, 5, 20.310, 106.508
Group:Polarity
US20190022102A1-20190124-C00319
Cc1ccccc1C(=O)OCCC(C)(C)CO
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
1, 1, 1, 0, 0, 0, 0, 0, 0, 0
Group:Rings
US20190022102A1-20190124-C00319
Cc1ccccc1C(=O)OCCC(C)(C)CO
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
2.489, 382.809, 12.889, 7.960, 5.023, 5.023, 2.805, 2.805, 1.379, 1.379, 13.714, 5.824, 4.191, 0.500, 5
Group:Topology
US20190022102A1-20190124-C00319
Cc1ccccc1C(=O)OCCC(C)(C)CO
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
3, 1, 1, 3, 3, 46.530, 102.420
Group:Polarity
US20180140577A1-20180524-C00013
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
1, 0, 0, 0, 1, 0, 1, 1, 0, 1
Group:Rings
US20180140577A1-20180524-C00013
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
2.832, 348.415, 13.215, 7.809, 5.061, 5.061, 3.492, 3.492, 1.847, 1.847, 13.674, 4.855, 2.650, 0.750, 4
Group:Topology
US20180140577A1-20180524-C00013
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
3, 1, 1, 5, 5, 74.680, 100.786
Group:Polarity
US20190016726A1-20190117-C01226
CSc1ccc2c(c1)CCC(C1c3ccccc3-c3cncn31)C2O
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
5, 3, 2, 1, 2, 1, 1, 0, 0, 0
Group:Rings
US20190016726A1-20190117-C01226
CSc1ccc2c(c1)CCC(C1c3ccccc3-c3cncn31)C2O
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.584, 948.574, 16.966, 12.275, 6.930, 7.810, 5.748, 6.473, 4.565, 5.029, 15.233, 5.750, 2.207, 0.286, 2
Group:Topology
US20190016726A1-20190117-C01226
CSc1ccc2c(c1)CCC(C1c3ccccc3-c3cncn31)C2O
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
4, 1, 1, 3, 4, 38.050, 151.280
Group:Polarity
US20210130293A1-20210506-C00843
COC1CCC(N)CC1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
1, 0, 0, 0, 1, 1, 0, 1, 1, 0
Group:Rings
US20210130293A1-20210506-C00843
COC1CCC(N)CC1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
2.180, 76.985, 6.690, 4.326, 2.772, 2.772, 2.052, 2.052, 1.324, 1.324, 7.032, 3.180, 1.954, 1.000, 1
Group:Topology
US20210130293A1-20210506-C00843
COC1CCC(N)CC1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
2, 1, 2, 2, 2, 35.250, 56.377
Group:Polarity
US20200290970A1-20200917-C00043
O=C(Nc1ccccc1)c1c[nH]c2cc(O)cc(O)c2c1=O
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
3, 3, 2, 1, 0, 0, 0, 0, 0, 0
Group:Rings
US20200290970A1-20200917-C00043
O=C(Nc1ccccc1)c1c[nH]c2cc(O)cc(O)c2c1=O
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
2.066, 916.572, 15.690, 10.559, 4.739, 4.739, 3.222, 3.222, 2.203, 2.203, 13.692, 5.249, 2.374, 0.000, 2
Group:Topology
US20200290970A1-20200917-C00043
O=C(Nc1ccccc1)c1c[nH]c2cc(O)cc(O)c2c1=O
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
4, 4, 4, 6, 6, 102.420, 124.216
Group:Polarity
US20200339580A1-20201029-C00006
CCS(=O)(=O)N1[C@@H]2CCC[C@H]1C[C@H](N(C)c1nc(COC(=O)OC(C)C)c(F)c(Nc3cc(C)[nH]n3)n1)C2
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 2, 0, 2, 2, 0, 2, 2, 0, 2
Group:Rings
US20200339580A1-20201029-C00006
CCS(=O)(=O)N1[C@@H]2CCC[C@H]1C[C@H](N(C)c1nc(COC(=O)OC(C)C)c(F)c(Nc3cc(C)[nH]n3)n1)C2
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.610, 1240.779, 27.612, 17.978, 10.105, 12.267, 6.951, 8.919, 5.166, 6.756, 28.019, 11.396, 6.171, 0.667, 9
Group:Topology
US20200339580A1-20201029-C00006
CCS(=O)(=O)N1[C@@H]2CCC[C@H]1C[C@H](N(C)c1nc(COC(=O)OC(C)C)c(F)c(Nc3cc(C)[nH]n3)n1)C2
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
10, 2, 2, 12, 14, 142.640, 221.902
Group:Polarity
US20220079964A1-20220317-C00029
OC[C@H]1OC(O)[C@@H](O)C1O
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
1, 0, 0, 0, 1, 0, 1, 1, 0, 1
Group:Rings
US20220079964A1-20220317-C00029
OC[C@H]1OC(O)[C@@H](O)C1O
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
3.110, 220.215, 10.492, 5.688, 1.785, 1.785, 1.138, 1.138, 0.618, 0.618, 4.632, 2.811, 1.138, 1.000, 1
Group:Topology
US20220079964A1-20220317-C00029
OC[C@H]1OC(O)[C@@H](O)C1O
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
5, 4, 4, 5, 5, 90.150, 61.699
Group:Polarity
US20190135733A1-20190509-C00197
O=C(O)C[C@H](NC(=O)C1CCCCN(C(=O)c2ccccc2)C1)C(=O)COc1c(F)c(F)cc(F)c1F
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
3, 2, 2, 0, 1, 0, 1, 1, 0, 1
Group:Rings
US20190135733A1-20190509-C00197
O=C(O)C[C@H](NC(=O)C1CCCCN(C(=O)c2ccccc2)C1)C(=O)COc1c(F)c(F)cc(F)c1F
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.693, 1151.267, 27.112, 17.578, 8.521, 8.521, 5.864, 5.864, 3.935, 3.935, 27.625, 12.328, 7.050, 0.360, 9
Group:Topology
US20190135733A1-20190509-C00197
O=C(O)C[C@H](NC(=O)C1CCCCN(C(=O)c2ccccc2)C1)C(=O)COc1c(F)c(F)cc(F)c1F
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
5, 2, 2, 8, 12, 113.010, 208.753
Group:Polarity
US20180037570A1-20180208-C00100
C[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)[C@@H](N)C2CC2)C1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 2, 1, 1, 2, 1, 1, 2, 1, 1
Group:Rings
US20180037570A1-20180208-C00100
C[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)[C@@H](N)C2CC2)C1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.658, 883.200, 18.259, 12.580, 7.858, 7.858, 5.750, 5.750, 4.266, 4.266, 16.988, 6.695, 3.058, 0.476, 3
Group:Topology
US20180037570A1-20180208-C00100
C[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)[C@@H](N)C2CC2)C1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
4, 1, 2, 5, 5, 83.010, 153.354
Group:Polarity
US20130053370A1-20130228-C00087
Cc1ccc(N)cc1NC(=O)c1csc2c(NC3CC3)ncnc12
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 3, 1, 2, 1, 1, 0, 1, 1, 0
Group:Rings
US20130053370A1-20130228-C00087
Cc1ccc(N)cc1NC(=O)c1csc2c(NC3CC3)ncnc12
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.655, 931.876, 16.681, 11.614, 5.996, 6.876, 4.026, 5.002, 2.500, 3.452, 14.893, 5.755, 2.781, 0.235, 4
Group:Topology
US20130053370A1-20130228-C00087
Cc1ccc(N)cc1NC(=O)c1csc2c(NC3CC3)ncnc12
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
6, 3, 4, 6, 7, 92.930, 142.670
Group:Polarity
US20210024464A1-20210128-C00311
Cc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 4, 2, 2, 0, 0, 0, 0, 0, 0
Group:Rings
US20210024464A1-20210128-C00311
Cc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.995, 969.452, 14.397, 10.220, 5.261, 5.261, 3.760, 3.760, 2.751, 2.751, 12.091, 4.416, 1.895, 0.056, 1
Group:Topology
US20210024464A1-20210128-C00311
Cc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
1, 1, 1, 2, 3, 28.680, 120.811
Group:Polarity
US20190386225A1-20191219-C00196
Cc1ccc2c(c1)oc1c3ccccc3ccc21
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 4, 3, 1, 0, 0, 0, 0, 0, 0
Group:Rings
US20190386225A1-20191219-C00196
Cc1ccc2c(c1)oc1c3ccccc3ccc21
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
2.289, 883.933, 12.113, 8.826, 4.765, 4.765, 3.519, 3.519, 2.612, 2.612, 9.720, 3.359, 1.216, 0.059, 0
Group:Topology
US20190386225A1-20191219-C00196
Cc1ccc2c(c1)oc1c3ccccc3ccc21
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
1, 0, 0, 1, 1, 13.140, 104.636
Group:Polarity
US20210190720A1-20210624-C00003
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
3, 1, 1, 0, 2, 0, 2, 2, 0, 2
Group:Rings
US20210190720A1-20210624-C00003
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
2.080, 2106.174, 52.457, 32.855, 17.208, 19.760, 11.089, 13.537, 7.189, 9.467, 55.446, 27.747, 18.699, 0.605, 17
Group:Topology
US20210190720A1-20210624-C00003
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
15, 12, 16, 24, 26, 399.530, 408.513
Group:Polarity
US20210053937A1-20210225-C00028
CC(C)C1CCC(N2CCC(n3c(CN4CCCC4)cc4ccccc43)CC2)CC1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
5, 2, 1, 1, 3, 1, 2, 3, 1, 2
Group:Rings
US20210053937A1-20210225-C00028
CC(C)C1CCC(N2CCC(n3c(CN4CCCC4)cc4ccccc43)CC2)CC1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.275, 815.746, 20.501, 14.687, 10.628, 10.628, 8.477, 8.477, 6.598, 6.598, 20.575, 9.042, 4.206, 0.704, 5
Group:Topology
US20210053937A1-20210225-C00028
CC(C)C1CCC(N2CCC(n3c(CN4CCCC4)cc4ccccc43)CC2)CC1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
3, 0, 0, 3, 3, 11.410, 182.968
Group:Polarity
US20220260464A1-20220818-C00043
OCCCCN1C=C/C(=C(/Cl)c2sc3ccccc3[n+]2CCCCO)c2ccccc21
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 3, 2, 1, 1, 0, 1, 0, 0, 0
Group:Rings
US20220260464A1-20220818-C00043
OCCCCN1C=C/C(=C(/Cl)c2sc3ccccc3[n+]2CCCCO)c2ccccc21
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.767, 1105.850, 21.631, 15.241, 7.642, 9.051, 5.554, 7.231, 3.984, 5.504, 22.030, 10.421, 4.700, 0.320, 9
Group:Topology
US20220260464A1-20220818-C00043
OCCCCN1C=C/C(=C(/Cl)c2sc3ccccc3[n+]2CCCCO)c2ccccc21
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
4, 2, 2, 4, 6, 47.580, 191.886
Group:Polarity
US20200291034A1-20200917-C00259
CC(Oc1ccc(C(F)(F)F)n2nc(N)nc12)C(F)(F)F
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
2, 2, 0, 2, 0, 0, 0, 0, 0, 0
Group:Rings
US20200291034A1-20200917-C00259
CC(Oc1ccc(C(F)(F)F)n2nc(N)nc12)C(F)(F)F
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
2.531, 661.837, 16.000, 9.498, 4.088, 4.088, 2.520, 2.520, 1.519, 1.519, 15.194, 4.670, 2.952, 0.400, 2
Group:Topology
US20200291034A1-20200917-C00259
CC(Oc1ccc(C(F)(F)F)n2nc(N)nc12)C(F)(F)F
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
5, 1, 2, 5, 11, 65.440, 112.864
Group:Polarity
US20190135775A9-20190509-C00034
c1ccc(-n2cccc2P(C2CCCCC2)C2CCCCC2)cc1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 2, 1, 1, 2, 2, 0, 2, 2, 0
Group:Rings
US20190135775A9-20190509-C00034
c1ccc(-n2cccc2P(C2CCCCC2)C2CCCCC2)cc1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.691, 602.429, 16.192, 11.933, 7.563, 10.296, 5.962, 9.462, 4.780, 8.657, 16.401, 7.874, 3.472, 0.545, 4
Group:Topology
US20190135775A9-20190509-C00034
c1ccc(-n2cccc2P(C2CCCCC2)C2CCCCC2)cc1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
1, 0, 0, 1, 2, 4.930, 147.775
Group:Polarity
US20190031641A1-20190131-C00245
Oc1nc(-c2cc(-c3ccon3)n(Cc3cncnc3)n2)ncc1F
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 4, 0, 4, 0, 0, 0, 0, 0, 0
Group:Rings
US20190031641A1-20190131-C00245
Oc1nc(-c2cc(-c3ccon3)n(Cc3cncnc3)n2)ncc1F
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.788, 1002.164, 17.225, 12.204, 5.069, 5.069, 3.381, 3.381, 2.264, 2.264, 14.874, 6.074, 2.918, 0.067, 4
Group:Topology
US20190031641A1-20190131-C00245
Oc1nc(-c2cc(-c3ccon3)n(Cc3cncnc3)n2)ncc1F
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
9, 1, 1, 9, 10, 115.640, 139.379
Group:Polarity
US20190092779A1-20190328-C00571
O=C(O)CC1CCN(CCOc2ccc(Nc3nc(N4CCCCCC4)nc4cn[nH]c(=O)c34)cc2)CC1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
5, 3, 1, 2, 2, 0, 2, 2, 0, 2
Group:Rings
US20190092779A1-20190328-C00571
O=C(O)CC1CCN(CCOc2ccc(Nc3nc(N4CCCCCC4)nc4cn[nH]c(=O)c34)cc2)CC1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.213, 1280.821, 26.321, 18.547, 10.114, 10.114, 7.358, 7.358, 5.219, 5.219, 25.900, 12.209, 6.576, 0.519, 9
Group:Topology
US20190092779A1-20190328-C00571
O=C(O)CC1CCN(CCOc2ccc(Nc3nc(N4CCCCCC4)nc4cn[nH]c(=O)c34)cc2)CC1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
9, 3, 3, 11, 11, 136.570, 220.780
Group:Polarity
US20190144455A1-20190516-C00604
CCNc1ncc2c(n1)N(C)CCN(c1cccc(CO[C@H](CCN(C)C(=O)OC(C)(C)C)c3ccccc3)c1)C2=O
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 3, 2, 1, 1, 0, 1, 0, 0, 0
Group:Rings
US20190144455A1-20190516-C00604
CCNc1ncc2c(n1)N(C)CCN(c1cccc(CO[C@H](CCN(C)C(=O)OC(C)(C)C)c3ccccc3)c1)C2=O
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.474, 1360.612, 30.277, 20.052, 11.410, 11.410, 6.876, 6.876, 4.674, 4.674, 30.771, 13.655, 7.970, 0.438, 10
Group:Topology
US20190144455A1-20190516-C00604
CCNc1ncc2c(n1)N(C)CCN(c1cccc(CO[C@H](CCN(C)C(=O)OC(C)(C)C)c3ccccc3)c1)C2=O
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
8, 1, 1, 10, 10, 100.130, 248.198
Group:Polarity
US20200277308A1-20200903-C00062
COC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CC5)CO[C@@H](C)[C@H]6N)cn4)ccnc3N2C1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
6, 2, 0, 2, 4, 0, 4, 3, 0, 3
Group:Rings
US20200277308A1-20200903-C00062
COC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CC5)CO[C@@H](C)[C@H]6N)cn4)ccnc3N2C1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.121, 1047.998, 23.993, 17.060, 10.342, 11.405, 8.204, 9.165, 6.100, 6.908, 23.270, 9.385, 4.239, 0.640, 5
Group:Topology
US20200277308A1-20200903-C00062
COC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CC5)CO[C@@H](C)[C@H]6N)cn4)ccnc3N2C1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
10, 1, 2, 9, 10, 98.860, 210.286
Group:Polarity
US20180044332A1-20180215-C00083
CCc1cccc(C)c1N1C(=O)CS/C1=N\C(=O)NC1CC1c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
6, 4, 3, 1, 2, 1, 1, 2, 1, 1
Group:Rings
US20180044332A1-20180215-C00083
CCc1cccc(C)c1N1C(=O)CS/C1=N\C(=O)NC1CC1c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.079, 1737.806, 31.009, 21.091, 10.423, 11.366, 7.411, 8.335, 5.190, 6.041, 29.423, 11.794, 6.322, 0.258, 7
Group:Topology
US20180044332A1-20180215-C00083
CCc1cccc(C)c1N1C(=O)CS/C1=N\C(=O)NC1CC1c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
7, 1, 1, 9, 13, 101.710, 254.694
Group:Polarity
US20210139432A1-20210513-C00034
CC#Cc1cc(OC)c(C2C(=O)CC3(CCN(C(C)=O)CC3)CC2=O)c(OC)c1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
3, 1, 1, 0, 2, 1, 1, 2, 1, 1
Group:Rings
US20210139432A1-20210513-C00034
CC#Cc1cc(OC)c(C2C(=O)CC3(CCN(C(C)=O)CC3)CC2=O)c(OC)c1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.919, 854.574, 21.181, 13.836, 7.895, 7.895, 6.114, 6.114, 4.597, 4.597, 20.912, 8.281, 4.001, 0.522, 3
Group:Topology
US20210139432A1-20210513-C00034
CC#Cc1cc(OC)c(C2C(=O)CC3(CCN(C(C)=O)CC3)CC2=O)c(OC)c1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
5, 0, 0, 6, 6, 72.910, 171.094
Group:Polarity
US20210277003A1-20210909-C00371
Cc1ccnc(C)c1N
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
1, 1, 0, 1, 0, 0, 0, 0, 0, 0
Group:Rings
US20210277003A1-20210909-C00371
Cc1ccnc(C)c1N
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
3.248, 197.906, 6.853, 4.215, 2.127, 2.127, 1.407, 1.407, 0.706, 0.706, 6.076, 2.052, 1.015, 0.286, 0
Group:Topology
US20210277003A1-20210909-C00371
Cc1ccnc(C)c1N
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
2, 1, 2, 2, 2, 38.910, 54.721
Group:Polarity
US20190030034A1-20190131-C00224
CC(C)(CNC(=O)OC(C)(C)C)Nc1nc(Cl)ncc1Br
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
1, 1, 0, 1, 0, 0, 0, 0, 0, 0
Group:Rings
US20190030034A1-20190131-C00224
CC(C)(CNC(=O)OC(C)(C)C)Nc1nc(Cl)ncc1Br
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
2.613, 517.383, 16.259, 9.484, 6.200, 7.392, 2.245, 3.007, 1.405, 1.829, 17.970, 6.787, 6.948, 0.615, 4
Group:Topology
US20190030034A1-20190131-C00224
CC(C)(CNC(=O)OC(C)(C)C)Nc1nc(Cl)ncc1Br
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
5, 2, 2, 6, 8, 76.140, 137.701
Group:Polarity
US20200157096A1-20200521-C00289
CCn1c(CN2CCCC2=O)nc2c(N)nc3cc(-c4cccs4)ccc3c21
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
5, 4, 1, 3, 1, 0, 1, 1, 0, 1
Group:Rings
US20200157096A1-20200521-C00289
CCn1c(CN2CCCC2=O)nc2c(N)nc3cc(-c4cccs4)ccc3c21
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.690, 1194.928, 19.250, 13.652, 7.095, 8.042, 5.409, 6.328, 4.057, 4.781, 17.188, 6.596, 2.654, 0.286, 4
Group:Topology
US20200157096A1-20200521-C00289
CCn1c(CN2CCCC2=O)nc2c(N)nc3cc(-c4cccs4)ccc3c21
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
6, 1, 2, 6, 7, 77.040, 166.161
Group:Polarity
US20220177458A1-20220609-C00132
Nc1ncc(-c2ccc(C3CCOCC3)c(C=O)c2)cc1-c1ccncc1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 3, 1, 2, 1, 0, 1, 1, 0, 1
Group:Rings
US20220177458A1-20220609-C00132
Nc1ncc(-c2ccc(C3CCOCC3)c(C=O)c2)cc1-c1ccncc1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.752, 1001.919, 19.510, 13.631, 6.683, 6.683, 5.068, 5.068, 3.585, 3.585, 16.148, 7.678, 3.593, 0.227, 4
Group:Topology
US20220177458A1-20220609-C00132
Nc1ncc(-c2ccc(C3CCOCC3)c(C=O)c2)cc1-c1ccncc1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
5, 1, 2, 5, 5, 78.100, 159.189
Group:Polarity
US20210101928A1-20210408-C00126
CC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(COC)CC[C@@H]43)[C@@H]1CC[C@@H]2C(C)=O
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 0, 0, 0, 4, 4, 0, 4, 4, 0
Group:Rings
US20210101928A1-20210408-C00126
CC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(COC)CC[C@@H]43)[C@@H]1CC[C@@H]2C(C)=O
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.810, 782.311, 23.140, 14.238, 9.064, 9.064, 7.886, 7.886, 6.744, 6.744, 13.714, 6.882, 2.798, 0.957, 4
Group:Topology
US20210101928A1-20210408-C00126
CC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(COC)CC[C@@H]43)[C@@H]1CC[C@@H]2C(C)=O
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
3, 1, 1, 3, 3, 46.530, 165.839
Group:Polarity
US20200299237A1-20200924-C00043
CS(=O)(=O)c1ccc(NC(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 3, 3, 0, 1, 0, 1, 1, 0, 1
Group:Rings
US20200299237A1-20200924-C00043
CS(=O)(=O)c1ccc(NC(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.486, 1606.127, 27.665, 17.841, 9.014, 13.014, 6.120, 8.404, 4.281, 5.823, 27.270, 10.539, 6.025, 0.231, 6
Group:Topology
US20200299237A1-20200924-C00043
CS(=O)(=O)c1ccc(NC(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
6, 2, 2, 9, 12, 129.720, 220.058
Group:Polarity
US20190359609A1-20191128-C00167
CC(=O)Nc1ncc(CN2CCC[C@H](c3cc4ncccc4[nH]3)C2)s1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
4, 3, 0, 3, 1, 0, 1, 1, 0, 1
Group:Rings
US20190359609A1-20191128-C00167
CC(=O)Nc1ncc(CN2CCC[C@H](c3cc4ncccc4[nH]3)C2)s1
Answer the following 15 topology questions for this molecule: Balaban J index, Bertz complexity index, Chi0 connectivity index, Chi1 connectivity index, Chi2n connectivity index, Chi2v connectivity index, Chi3n connectivity index, Chi3v connectivity index, Chi4n connectivity index, Chi4v connectivity index, Kappa1 shape index, Kappa2 shape index, Kappa3 shape index, fraction of sp3 carbons, number of rotatable bonds. Provide exactly 15 numerical values separated by commas in the same order.
1.434, 853.364, 17.225, 12.170, 6.548, 7.663, 4.571, 5.469, 3.459, 4.360, 16.231, 6.934, 3.721, 0.389, 4
Group:Topology
US20190359609A1-20191128-C00167
CC(=O)Nc1ncc(CN2CCC[C@H](c3cc4ncccc4[nH]3)C2)s1
Answer the following 7 polarity questions for this molecule: number of hydrogen bond acceptors, number of hydrogen bond donors, number of NH or OH groups, number of nitrogen and oxygen atoms, number of heteroatoms, topological polar surface area, Labute accessible surface area. Provide exactly 7 numerical values separated by commas in the same order.
5, 2, 2, 6, 7, 73.910, 149.844
Group:Polarity
US20180222891A1-20180809-C00643
O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)cccc5[nH]4)c3c2)c1
Answer the following 10 rings questions for this molecule: ring count, number of aromatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aliphatic rings, number of aliphatic carbocycles, number of aliphatic heterocycles, number of saturated rings, number of saturated carbocycles, number of saturated heterocycles. Provide exactly 10 numerical values separated by commas in the same order.
7, 5, 2, 3, 2, 0, 2, 2, 0, 2
Group:Rings
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