Molecular Properties | |
SMILES: | O=c1c2ncccc2n(Cc2c(F)cccc2Cl)c(=O)n1Cc1ccc2c(c1)OCO2 |
MW: | 439.07 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 75.35 |
cLogP: | 3.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3426216483 |
MolPort: | MolPort-003-108-095 |
Filter82_pyridinium
MAR-TRE-b77b7921-14
0.711
MAR-TRE-b77b7921-64
0.699
MAR-TRE-b77b7921-37
0.691
MAR-TRE-04c86cea-61
0.689
MAR-TRE-b77b7921-12
0.681
MAR-TRE-b77b7921-79
0.681
MAR-TRE-04c86cea-37
0.646
MAR-TRE-04c86cea-98
0.629
MAR-TRE-d0525fbf-19
0.628
MAR-TRE-f6f5f473-13
0.610
MAR-TRE-f6f5f473-32
0.602
MAR-TRE-d0525fbf-40
0.600
MAR-TRE-74c6519b-38
0.589
MAR-TRE-b77b7921-56
0.584
MAR-TRE-d0525fbf-13
0.578
MAR-TRE-d0525fbf-57
0.573
MAR-TRE-3e4e6814-38
0.522
MAR-TRE-b77b7921-38
0.522
MAR-TRE-b77b7921-94
0.519
MAR-TRE-04c86cea-28
0.504
MAR-TRE-d0525fbf-86
0.450
MAR-TRE-b77b7921-32
0.433
MAR-TRE-b77b7921-49
0.426
MAR-TRE-b77b7921-33
0.423
MAR-TRE-74c6519b-83
0.423
MAR-TRE-b77b7921-41
0.419
MAR-TRE-4b834d9a-80
0.417
MAR-TRE-d0525fbf-46
0.413
MAR-TRE-d0525fbf-67
0.410
MAR-TRE-04c86cea-50
0.400
MAR-TRE-b77b7921-76
0.398
MAR-TRE-d0525fbf-59
0.394
MAR-TRE-3e4e6814-99
0.394
MAR-TRE-b77b7921-51
0.393
MAR-TRE-b77b7921-62
0.393
MAR-TRE-3e4e6814-77
0.389
MAR-TRE-3e4e6814-42
0.387
MAR-TRE-4b834d9a-19
0.381
MAR-TRE-4b834d9a-34
0.381
MAR-TRE-74c6519b-94
0.377
MAR-TRE-b77b7921-86
0.377
MAR-TRE-7f7bb9f0-10
0.377
MAR-TRE-d0525fbf-39
0.377
MAR-TRE-f6f5f473-86
0.371
MAR-TRE-7f7bb9f0-40
0.371
MAR-TRE-d0525fbf-16
0.370
MAR-TRE-04c86cea-26
0.370
MAR-TRE-f6f5f473-49
0.370
MAR-TRE-f6f5f473-11
0.369
MAR-TRE-d0525fbf-17
0.368
MAR-TRE-04c86cea-92
0.368
MAR-TRE-b77b7921-50
0.366
MAR-TRE-74c6519b-20
0.364
MAR-TRE-3e4e6814-30
0.363
MAR-TRE-d0525fbf-29
0.362
MAR-TRE-d0525fbf-47
0.360
MAR-TRE-9c797165-19
0.359
MAR-TRE-74c6519b-21
0.356
MAR-TRE-4b834d9a-41
0.353
MAR-TRE-d0525fbf-48
0.353
MAR-TRE-7f7bb9f0-24
0.353
MAR-TRE-b77b7921-42
0.353
MAR-TRE-d0525fbf-73
0.352
MAR-TRE-b77b7921-36
0.351
MAR-TRE-d0525fbf-27
0.350
MAR-TRE-d0525fbf-60
0.350
MAR-TRE-d0525fbf-20
0.350
MAR-TRE-b77b7921-31
0.347
MAR-TRE-d0525fbf-15
0.347
MAR-TRE-d0525fbf-32
0.347
MAR-TRE-d0525fbf-18
0.345
MAR-TRE-d0525fbf-58
0.345
MAR-TRE-04c86cea-2
0.345
MAR-TRE-74c6519b-87
0.344
MAR-TRE-7f7bb9f0-52
0.342
MAR-TRE-74c6519b-31
0.342
MAR-TRE-d0525fbf-1
0.342
MAR-TRE-3e4e6814-91
0.342
MAR-TRE-3e4e6814-83
0.342
MAR-TRE-b77b7921-28
0.342
MAR-TRE-7f7bb9f0-77
0.339
MAR-TRE-4b834d9a-72
0.339
MAR-TRE-4b834d9a-81
0.336
MAR-TRE-d0525fbf-56
0.336
MAR-TRE-d0525fbf-25
0.336
MAR-TRE-74c6519b-2
0.336
MAR-TRE-74c6519b-62
0.336
MAR-TRE-d0525fbf-31
0.333
MAR-TRE-b77b7921-24
0.333
MAR-TRE-d0525fbf-42
0.333
MAR-TRE-74c6519b-99
0.333
MAR-TRE-b77b7921-21
0.333
MAR-TRE-74c6519b-80
0.331
MAR-TRE-3e4e6814-29
0.331
MAR-TRE-74c6519b-32
0.331
MAR-TRE-b77b7921-82
0.331
MAR-TRE-d0525fbf-49
0.328
MAR-TRE-74c6519b-4
0.328
MAR-TRE-74c6519b-40
0.328
MAR-TRE-4b834d9a-50
0.328