Molecular Properties | |
SMILES: | Cc1ccc(-c2ccccc2NC(=O)Cn2c(=O)n(Cc3cccs3)c3ncccc32)o1 |
MW: | 444.13 |
Fraction sp3: | 0.12 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 82.06 |
cLogP: | 4.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4716417058 |
MAR-TRE-f6f5f473-60
0.464
MAR-TRE-f6f5f473-5
0.459
MAR-TRE-f6f5f473-57
0.407
MAR-TRE-f6f5f473-64
0.404
MAR-TRE-4b834d9a-40
0.393
MAR-TRE-4b834d9a-7
0.383
MAR-TRE-f6f5f473-3
0.381
MAR-TRE-4b834d9a-47
0.362
MAR-TRE-74c6519b-84
0.358
MAR-TRE-04c86cea-66
0.347
MAR-TRE-d0525fbf-61
0.345
MAR-TRE-04c86cea-23
0.345
MAR-TRE-f6f5f473-15
0.345
MAR-TRE-b77b7921-28
0.344
MAR-TRE-67513f76-27
0.342
MAR-TRE-4b834d9a-37
0.342
MAR-TRE-67513f76-2
0.333
MAR-TRE-04c86cea-22
0.333
MAR-TRE-74c6519b-32
0.333
MAR-TRE-4b834d9a-61
0.331
MAR-TRE-f6f5f473-92
0.328
MAR-TRE-b77b7921-6
0.325
MAR-TRE-b77b7921-26
0.325
MAR-TRE-3e4e6814-32
0.325
MAR-TRE-04c86cea-29
0.325
MAR-TRE-d0525fbf-41
0.322
MAR-TRE-3e4e6814-86
0.322
MAR-TRE-9c797165-85
0.317
MAR-TRE-74c6519b-78
0.316
MAR-TRE-b77b7921-42
0.312
MAR-TRE-4b834d9a-1
0.309
MAR-TRE-4b834d9a-93
0.309
MAR-TRE-74c6519b-15
0.309
MAR-TRE-d0525fbf-47
0.306
MAR-TRE-04c86cea-99
0.304
MAR-TRE-4b834d9a-33
0.302
MAR-TRE-3e4e6814-46
0.302
MAR-TRE-7f7bb9f0-85
0.301
MAR-TRE-67513f76-23
0.299
MAR-TRE-d0525fbf-27
0.298
MAR-TRE-3e4e6814-98
0.298
MAR-TRE-b77b7921-84
0.298
MAR-TRE-f6f5f473-68
0.298
MAR-TRE-3e4e6814-69
0.297
MAR-TRE-7f7bb9f0-39
0.297
MAR-TRE-d0525fbf-3
0.296
MAR-TRE-74c6519b-37
0.296
MAR-TRE-04c86cea-74
0.296
MAR-TRE-b77b7921-98
0.295
MAK-UNK-b1d4dcd7-3
0.294
MAR-TRE-9c797165-36
0.294
MAR-TRE-4b834d9a-99
0.293
MAR-TRE-3e4e6814-18
0.293
MAR-TRE-74c6519b-86
0.293
MAR-TRE-f6f5f473-12
0.293
MAR-TRE-3e4e6814-5
0.292
MAR-TRE-7f7bb9f0-93
0.292
MAR-TRE-74c6519b-39
0.292
MAR-TRE-04c86cea-24
0.291
MAR-TRE-f6f5f473-66
0.291
MAR-TRE-04c86cea-57
0.290
MAR-TRE-7f7bb9f0-17
0.289
MAR-TRE-3e4e6814-3
0.289
MAR-TRE-4b834d9a-23
0.289
MAR-TRE-74c6519b-92
0.289
MAR-TRE-d0525fbf-2
0.289
MAR-TRE-74c6519b-25
0.288
MAR-TRE-74c6519b-75
0.288
MAR-TRE-d0525fbf-12
0.288
MAR-TRE-4b834d9a-83
0.288
MAR-TRE-74c6519b-33
0.288
MAR-TRE-74c6519b-45
0.288
MAR-TRE-67513f76-18
0.287
MAR-TRE-74c6519b-73
0.287
MAR-TRE-d0525fbf-15
0.287
MAR-TRE-3e4e6814-94
0.287
MAR-TRE-74c6519b-34
0.287
MAR-TRE-3e4e6814-70
0.286
MAR-TRE-4b834d9a-25
0.286
MAR-TRE-74c6519b-3
0.286
MAR-TRE-b77b7921-20
0.286
MAR-TRE-f6f5f473-53
0.286
MAR-TRE-3e4e6814-21
0.285
MAR-TRE-f6f5f473-54
0.285
MAR-TRE-f6f5f473-40
0.285
MAR-TRE-4b834d9a-95
0.284
MAR-TRE-4b834d9a-39
0.284
MAR-TRE-4b834d9a-55
0.284
MAR-TRE-7f7bb9f0-87
0.284
MAR-TRE-3e4e6814-2
0.283
MAR-TRE-d0525fbf-42
0.283
MAR-TRE-74c6519b-21
0.283
MAR-TRE-74c6519b-77
0.283
MAR-TRE-b77b7921-48
0.283
MAR-TRE-3e4e6814-90
0.283
MAR-TRE-f6f5f473-34
0.283
MAR-TRE-f6f5f473-55
0.283
MAR-TRE-f6f5f473-89
0.283
MAR-TRE-b77b7921-27
0.282
MAR-TRE-3e4e6814-75
0.282