Molecular Properties | |
SMILES: | COc1ccc([C@@H](C)NC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c3ncccc32)cc1OC |
MW: | 446.2 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 87.38 |
cLogP: | 3.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-74c6519b-72
0.818
MAR-TRE-04c86cea-57
0.733
MAR-TRE-b77b7921-48
0.622
MAR-TRE-b77b7921-98
0.588
MAR-TRE-04c86cea-70
0.560
MAR-TRE-74c6519b-39
0.541
MAR-TRE-04c86cea-33
0.538
MAR-TRE-d0525fbf-89
0.519
MAR-TRE-f6f5f473-55
0.515
MAR-TRE-04c86cea-80
0.510
MAR-TRE-3e4e6814-21
0.510
MAR-TRE-f6f5f473-22
0.510
MAR-TRE-d0525fbf-70
0.509
MAR-TRE-3e4e6814-69
0.505
MAR-TRE-3e4e6814-86
0.505
MAR-TRE-74c6519b-92
0.505
MAR-TRE-f6f5f473-17
0.500
MAR-TRE-3e4e6814-4
0.500
MAR-TRE-b77b7921-100
0.500
MAR-TRE-f6f5f473-68
0.500
MAR-TRE-74c6519b-45
0.495
MAR-TRE-b77b7921-20
0.491
MAR-TRE-f6f5f473-12
0.490
MAR-TRE-3e4e6814-2
0.486
MAR-TRE-3e4e6814-25
0.486
MAR-TRE-3e4e6814-60
0.486
MAR-TRE-3e4e6814-10
0.475
MAR-TRE-74c6519b-30
0.471
MAR-TRE-3e4e6814-26
0.464
MAR-TRE-7f7bb9f0-78
0.459
MAR-TRE-f6f5f473-34
0.456
MAR-TRE-7f7bb9f0-73
0.455
MAR-TRE-7f7bb9f0-3
0.454
MAR-TRE-7f7bb9f0-70
0.454
MAR-TRE-74c6519b-70
0.454
MAR-TRE-9c797165-78
0.451
MAR-TRE-4b834d9a-23
0.448
MAR-TRE-d0525fbf-71
0.446
MAR-TRE-d0525fbf-6
0.445
MAR-TRE-04c86cea-11
0.445
MAR-TRE-d0525fbf-8
0.441
MAR-TRE-d0525fbf-12
0.440
MAR-TRE-d0525fbf-79
0.439
MAR-TRE-d0525fbf-68
0.438
MAR-TRE-67513f76-23
0.437
MAR-TRE-d0525fbf-9
0.435
MAR-TRE-d0525fbf-37
0.435
MAR-TRE-7f7bb9f0-1
0.434
MAR-TRE-74c6519b-77
0.432
MAR-TRE-3e4e6814-18
0.431
MAR-TRE-d0525fbf-2
0.425
MAR-TRE-67513f76-11
0.425
MAR-TRE-d0525fbf-3
0.423
MAR-TRE-04c86cea-58
0.423
MAR-TRE-4b834d9a-30
0.423
MAR-TRE-d0525fbf-44
0.421
MAR-TRE-3e4e6814-75
0.417
MAR-TRE-4b834d9a-60
0.413
MAR-TRE-9c797165-85
0.413
MAR-TRE-f6f5f473-40
0.413
MAR-TRE-4b834d9a-69
0.413
MAR-TRE-b77b7921-59
0.411
MAR-TRE-74c6519b-86
0.409
MAR-TRE-7f7bb9f0-22
0.409
MAR-TRE-3e4e6814-73
0.402
MAR-TRE-4b834d9a-76
0.400
MAR-TRE-d0525fbf-21
0.400
MAR-TRE-f6f5f473-94
0.398
MAR-TRE-9c797165-23
0.394
MAR-TRE-f6f5f473-53
0.393
MAR-TRE-3e4e6814-1
0.392
MAR-TRE-4b834d9a-54
0.391
MAR-TRE-4b834d9a-35
0.391
MAR-TRE-04c86cea-69
0.389
MAR-TRE-3e4e6814-3
0.388
MAR-TRE-9c797165-100
0.388
MAR-TRE-04c86cea-60
0.387
MAR-TRE-3e4e6814-76
0.382
MAR-TRE-7f7bb9f0-71
0.381
MAR-TRE-67513f76-62
0.381
MAR-TRE-4b834d9a-36
0.381
MAR-TRE-04c86cea-52
0.376
MAR-TRE-04c86cea-21
0.376
MAR-TRE-f6f5f473-20
0.376
MAR-TRE-3e4e6814-20
0.374
MAR-TRE-04c86cea-45
0.373
MAR-TRE-3e4e6814-36
0.373
MAR-TRE-b77b7921-27
0.372
MAR-TRE-b77b7921-43
0.368
MAR-TRE-67513f76-15
0.368
MAR-TRE-7f7bb9f0-65
0.364
MAR-TRE-67513f76-72
0.364
MAR-TRE-4b834d9a-32
0.358
MAR-TRE-4b834d9a-83
0.353
MAR-TRE-4b834d9a-87
0.351
MAR-TRE-9c797165-36
0.343
MAR-TRE-f6f5f473-88
0.339
MAR-TRE-04c86cea-12
0.336
MAR-TRE-f6f5f473-43
0.333
MAR-TRE-74c6519b-75
0.333