Molecular Properties | |
SMILES: | COCCn1c(=O)n([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)c2ncccc21 |
MW: | 370.18 |
Fraction sp3: | 0.44 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 98.04 |
cLogP: | 1.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-d0525fbf-85
0.728
MAR-TRE-67513f76-77
0.681
MAR-TRE-9c797165-97
0.660
MAR-TRE-67513f76-28
0.533
MAR-TRE-67513f76-56
0.448
MAR-TRE-04c86cea-11
0.359
MAR-TRE-04c86cea-56
0.348
MAR-TRE-9c797165-73
0.336
MAR-TRE-04c86cea-25
0.336
MAR-TRE-04c86cea-89
0.333
MAR-TRE-f6f5f473-43
0.333
MAR-TRE-04c86cea-36
0.330
MAR-TRE-04c86cea-63
0.330
MAR-TRE-f6f5f473-62
0.328
MAR-TRE-f6f5f473-88
0.328
MAR-TRE-04c86cea-20
0.325
MAR-TRE-f6f5f473-16
0.325
MAR-TRE-3e4e6814-33
0.322
MAR-TRE-f6f5f473-82
0.322
MAR-TRE-f6f5f473-72
0.317
MAR-TRE-9c797165-62
0.314
MAR-TRE-d0525fbf-100
0.314
MAR-TRE-f6f5f473-50
0.311
MAR-TRE-04c86cea-72
0.311
MAR-TRE-f6f5f473-26
0.308
MAR-TRE-3e4e6814-19
0.308
MAR-TRE-f6f5f473-45
0.306
MAR-TRE-4b834d9a-30
0.306
MAR-TRE-f6f5f473-96
0.306
MAR-TRE-74c6519b-16
0.303
MAR-TRE-04c86cea-9
0.303
MAR-TRE-3e4e6814-20
0.301
MAR-TRE-9c797165-78
0.298
MAR-TRE-3e4e6814-18
0.292
MAR-TRE-67513f76-91
0.288
MAR-TRE-4b834d9a-32
0.286
MAR-TRE-9c797165-18
0.286
MAR-TRE-3e4e6814-10
0.281
MAR-TRE-7f7bb9f0-65
0.281
MAR-TRE-3e4e6814-75
0.281
MAR-TRE-b77b7921-59
0.280
MAR-TRE-9c797165-61
0.278
RED-RED-10c9212c-43
0.275
MAR-TRE-f6f5f473-53
0.274
MAR-TRE-3e4e6814-69
0.273
MAR-TRE-7f7bb9f0-39
0.273
MAR-TRE-3e4e6814-60
0.268
MAR-TRE-7f7bb9f0-71
0.268
MAR-TRE-67513f76-62
0.268
MAR-TRE-3e4e6814-25
0.268
MAR-TRE-7f7bb9f0-78
0.265
MAR-TRE-9c797165-25
0.264
MAR-TRE-3e4e6814-70
0.264
MAR-TRE-7f7bb9f0-73
0.264
MAR-TRE-b77b7921-98
0.262
MAR-TRE-04c86cea-77
0.262
MAR-TRE-3e4e6814-71
0.260
MAR-TRE-74c6519b-72
0.260
MAR-TRE-7f7bb9f0-29
0.259
MAR-TRE-4b834d9a-84
0.259
MAR-TRE-04c86cea-57
0.258
MAR-TRE-67513f76-72
0.258
MAR-TRE-9c797165-100
0.258
MAR-TRE-3e4e6814-26
0.258
MAR-TRE-7f7bb9f0-87
0.257
MAR-TRE-3e4e6814-1
0.257
MAR-TRE-d0525fbf-66
0.256
MAR-TRE-b77b7921-68
0.256
MAR-TRE-b77b7921-54
0.254
MAR-TRE-9c797165-40
0.254
MAR-TRE-9c797165-74
0.254
MAR-TRE-d0525fbf-89
0.254
MAR-TRE-3159af1a-73
0.252
MAR-TRE-4b834d9a-7
0.252
MAR-TRE-d0525fbf-88
0.252
KUS-THE-322b9b63-10
0.252
MAR-TRE-3e4e6814-21
0.252
MAR-TRE-d0525fbf-9
0.250
MAR-TRE-4b834d9a-39
0.250
MAR-TRE-b77b7921-100
0.250
MAR-TRE-b77b7921-22
0.250
MAR-TRE-67513f76-15
0.250
MAR-TRE-d0525fbf-37
0.250
MAR-TRE-d0525fbf-70
0.250
MAR-TRE-b77b7921-16
0.248
MAR-TRE-3159af1a-49
0.248
MAR-TRE-3e4e6814-94
0.246
MAR-TRE-7f7bb9f0-1
0.246
MAR-TRE-d0525fbf-71
0.246
MAR-TRE-3159af1a-16
0.246
MAR-TRE-7f7bb9f0-70
0.246
MAR-TRE-74c6519b-45
0.246
MAR-TRE-4b834d9a-23
0.246
MAR-TRE-d0525fbf-23
0.246
MAR-TRE-4b834d9a-8
0.246
MAR-TRE-9c797165-36
0.245
MAR-TRE-7f7bb9f0-34
0.244
MAR-TRE-3e4e6814-35
0.244
MAR-TRE-74c6519b-30
0.244
MAR-TRE-74c6519b-75
0.244