Molecular Properties | |
SMILES: | O=c1c2ncccc2n(Cc2c(F)cccc2Cl)c(=O)n1Cc1ccccn1 |
MW: | 396.08 |
Fraction sp3: | 0.1 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 69.78 |
cLogP: | 2.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5155486992 |
MolPort: | MolPort-003-122-183 |
Filter82_pyridinium
MAR-TRE-b77b7921-86
0.642
MAR-TRE-b77b7921-76
0.637
MAR-TRE-3e4e6814-77
0.612
MAR-TRE-74c6519b-83
0.607
MAR-TRE-b77b7921-51
0.600
MAR-TRE-b77b7921-62
0.600
MAR-TRE-f6f5f473-86
0.598
MAR-TRE-74c6519b-22
0.589
MAR-TRE-f6f5f473-49
0.570
MAR-TRE-d0525fbf-34
0.568
MAR-TRE-d0525fbf-18
0.552
MAR-TRE-f6f5f473-10
0.544
MAR-TRE-d0525fbf-49
0.536
MAR-TRE-d0525fbf-62
0.527
MAR-TRE-74c6519b-4
0.526
MAR-TRE-3e4e6814-46
0.526
MAR-TRE-d0525fbf-76
0.511
MAR-TRE-3e4e6814-15
0.505
MAR-TRE-3e4e6814-40
0.505
MAR-TRE-b77b7921-58
0.500
MAR-TRE-74c6519b-1
0.495
MAR-TRE-f6f5f473-19
0.495
MAR-TRE-74c6519b-43
0.490
MAR-TRE-74c6519b-34
0.485
MAR-TRE-04c86cea-22
0.485
MAR-TRE-b77b7921-1
0.484
MAR-TRE-f6f5f473-38
0.479
MAR-TRE-04c86cea-10
0.479
MAR-TRE-04c86cea-43
0.475
MAR-TRE-04c86cea-42
0.465
MAR-TRE-04c86cea-3
0.465
MAR-TRE-04c86cea-99
0.455
MAR-TRE-04c86cea-24
0.451
MAR-TRE-3e4e6814-99
0.437
MAR-TRE-b77b7921-32
0.432
MAR-TRE-b77b7921-41
0.432
MAR-TRE-04c86cea-50
0.427
MAR-TRE-b77b7921-49
0.424
MAR-TRE-d0525fbf-86
0.419
MAR-TRE-4b834d9a-80
0.415
MAR-TRE-74c6519b-94
0.415
MAR-TRE-b77b7921-33
0.406
MAR-TRE-d0525fbf-46
0.396
MAR-TRE-d0525fbf-47
0.392
MAR-TRE-d0525fbf-67
0.392
MAR-TRE-04c86cea-26
0.392
MAR-TRE-4b834d9a-34
0.389
MAR-TRE-b77b7921-50
0.386
MAR-TRE-7f7bb9f0-10
0.385
MAR-TRE-b77b7921-64
0.381
MAR-TRE-9c797165-19
0.380
MAR-TRE-4b834d9a-44
0.379
MAR-TRE-b77b7921-37
0.377
MAR-TRE-7f7bb9f0-40
0.377
MAR-TRE-d0525fbf-59
0.375
MAR-TRE-4b834d9a-19
0.375
MAR-TRE-b77b7921-28
0.370
MAR-TRE-b77b7921-14
0.369
MAR-TRE-d0525fbf-27
0.368
MAR-TRE-d0525fbf-29
0.368
MAR-TRE-3e4e6814-42
0.367
MAR-TRE-d0525fbf-16
0.364
MAR-TRE-04c86cea-29
0.363
MAR-TRE-04c86cea-61
0.363
MAR-TRE-04c86cea-92
0.362
MAR-TRE-7f7bb9f0-52
0.359
MAR-TRE-4b834d9a-41
0.358
MAR-TRE-d0525fbf-48
0.358
MAR-TRE-74c6519b-32
0.358
MAR-TRE-7f7bb9f0-24
0.358
MAR-TRE-d0525fbf-73
0.358
MAR-TRE-b77b7921-42
0.358
MAR-TRE-74c6519b-20
0.358
MAR-TRE-7f7bb9f0-77
0.356
MAR-TRE-4b834d9a-72
0.356
MAR-TRE-3e4e6814-30
0.356
MAR-TRE-b77b7921-12
0.355
MAR-TRE-b77b7921-79
0.355
MAR-TRE-4b834d9a-81
0.353
MAR-TRE-b77b7921-31
0.352
MAR-TRE-f6f5f473-11
0.350
MAR-TRE-d0525fbf-17
0.349
MAR-TRE-04c86cea-2
0.349
MAR-TRE-d0525fbf-58
0.349
MAR-TRE-74c6519b-84
0.349
MAR-TRE-d0525fbf-1
0.346
MAR-TRE-f6f5f473-60
0.345
MAR-TRE-b77b7921-36
0.343
MAR-TRE-4b834d9a-52
0.343
MAR-TRE-3e4e6814-48
0.343
MAR-TRE-04c86cea-98
0.343
MAR-TRE-04c86cea-37
0.343
MAR-TRE-f6f5f473-7
0.340
MAR-TRE-d0525fbf-56
0.339
MAR-TRE-3e4e6814-32
0.336
MAR-TRE-d0525fbf-42
0.336
MAR-TRE-74c6519b-21
0.336
MAR-TRE-b77b7921-6
0.336
MAR-TRE-74c6519b-31
0.333
MAR-TRE-3e4e6814-91
0.333