Molecular Properties | |
SMILES: | Cc1ccc(-n2c(=O)n(CC(=O)N3CCN(C4CCN(C)CC4)CC3)c3cccnc32)cc1 |
MW: | 448.26 |
Fraction sp3: | 0.48 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 66.61 |
cLogP: | 1.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-3e4e6814-10
0.753
MAR-TRE-4b834d9a-32
0.591
MAR-TRE-3e4e6814-20
0.554
MAR-TRE-7f7bb9f0-65
0.511
MAR-TRE-3e4e6814-25
0.490
MAR-TRE-3e4e6814-60
0.490
MAR-TRE-f6f5f473-55
0.475
MAR-TRE-04c86cea-80
0.470
MAR-TRE-74c6519b-39
0.470
MAR-TRE-3e4e6814-26
0.467
MAR-TRE-74c6519b-92
0.465
MAR-TRE-3e4e6814-86
0.465
MAR-TRE-3e4e6814-4
0.462
MAR-TRE-f6f5f473-68
0.461
MAR-TRE-f6f5f473-17
0.461
MAR-TRE-f6f5f473-12
0.452
MAR-TRE-04c86cea-57
0.448
MAR-TRE-04c86cea-70
0.448
MAR-TRE-f6f5f473-22
0.443
MAR-TRE-b77b7921-20
0.439
MAR-TRE-b77b7921-48
0.435
MAR-TRE-74c6519b-30
0.433
MAR-TRE-04c86cea-33
0.431
MAR-TRE-3e4e6814-21
0.429
MAR-TRE-b77b7921-68
0.423
MAR-TRE-3e4e6814-75
0.420
MAR-TRE-f6f5f473-34
0.417
MAR-TRE-7f7bb9f0-78
0.404
MAR-TRE-b77b7921-59
0.400
MAR-TRE-3e4e6814-69
0.388
MAR-TRE-9c797165-78
0.385
MAR-TRE-67513f76-23
0.385
MAR-TRE-7f7bb9f0-71
0.382
MAR-TRE-67513f76-62
0.382
MAR-TRE-f6f5f473-53
0.381
MAR-TRE-4b834d9a-51
0.381
MAR-TRE-74c6519b-70
0.378
MAR-TRE-9c797165-85
0.376
MAR-TRE-4b834d9a-60
0.375
MAR-TRE-7f7bb9f0-22
0.373
MAR-TRE-74c6519b-86
0.373
MAR-TRE-3e4e6814-2
0.372
MAR-TRE-4b834d9a-23
0.370
MAR-TRE-67513f76-15
0.368
MAR-TRE-3e4e6814-18
0.365
MAR-TRE-67513f76-72
0.365
MAR-TRE-3e4e6814-73
0.364
MAR-TRE-f6f5f473-88
0.364
MAR-TRE-7f7bb9f0-1
0.362
MAR-TRE-67513f76-11
0.361
MAR-TRE-d0525fbf-9
0.360
MAR-TRE-d0525fbf-37
0.360
MAR-TRE-f6f5f473-94
0.359
MAR-TRE-9c797165-23
0.358
MAR-TRE-f6f5f473-43
0.358
MAR-TRE-4b834d9a-54
0.355
MAR-TRE-4b834d9a-35
0.355
MAR-TRE-7f7bb9f0-3
0.354
MAR-TRE-7f7bb9f0-70
0.354
MAR-TRE-d0525fbf-12
0.354
MAR-TRE-b77b7921-100
0.352
MAR-TRE-4b834d9a-76
0.351
MAR-TRE-d0525fbf-21
0.351
MAR-TRE-4b834d9a-69
0.351
MAR-TRE-d0525fbf-3
0.351
MAR-TRE-d0525fbf-89
0.351
MAR-TRE-3e4e6814-35
0.351
MAR-TRE-d0525fbf-6
0.348
MAR-TRE-4b834d9a-36
0.345
MAR-TRE-d0525fbf-8
0.345
MAR-TRE-d0525fbf-70
0.345
MAR-TRE-9c797165-100
0.342
MAR-TRE-d0525fbf-2
0.342
MAR-TRE-d0525fbf-68
0.342
MAR-TRE-04c86cea-69
0.339
MAR-TRE-f6f5f473-20
0.339
MAR-TRE-04c86cea-21
0.339
MAR-TRE-04c86cea-52
0.339
MAR-TRE-b77b7921-98
0.339
MAR-TRE-d0525fbf-79
0.339
MAR-TRE-d0525fbf-44
0.339
MAR-TRE-d0525fbf-71
0.339
MAR-TRE-9c797165-61
0.336
MAR-TRE-04c86cea-45
0.336
MAR-TRE-d0525fbf-100
0.336
MAR-TRE-7f7bb9f0-73
0.336
MAR-TRE-74c6519b-75
0.333
MAR-TRE-b77b7921-69
0.333
MAR-TRE-74c6519b-45
0.330
MAR-TRE-04c86cea-58
0.328
MAR-TRE-04c86cea-60
0.327
MAR-TRE-7f7bb9f0-29
0.327
MAR-TRE-74c6519b-77
0.325
MAR-TRE-74c6519b-36
0.325
MAR-TRE-3e4e6814-71
0.325
MAR-TRE-b77b7921-27
0.325
MAR-TRE-74c6519b-72
0.322
MAR-TRE-04c86cea-89
0.322
MAR-TRE-9c797165-97
0.322
MAR-TRE-b77b7921-43
0.322