Molecular Properties | |
SMILES: | O=c1c2ncccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1cccnc1 |
MW: | 378.09 |
Fraction sp3: | 0.1 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 69.78 |
cLogP: | 2.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9358659390 |
MolPort: | MolPort-003-122-287 |
Filter82_pyridinium
MAR-TRE-4b834d9a-80
0.757
MAR-TRE-04c86cea-50
0.722
MAR-TRE-b77b7921-49
0.684
MAR-TRE-b77b7921-62
0.684
MAR-TRE-d0525fbf-16
0.650
MAR-TRE-b77b7921-32
0.642
MAR-TRE-b77b7921-79
0.632
MAR-TRE-f6f5f473-11
0.619
MAR-TRE-3e4e6814-83
0.611
MAR-TRE-04c86cea-26
0.610
MAR-TRE-b77b7921-41
0.602
MAR-TRE-d0525fbf-73
0.595
MAR-TRE-74c6519b-80
0.552
MAR-TRE-b77b7921-24
0.548
MAR-TRE-d0525fbf-86
0.536
MAR-TRE-b77b7921-13
0.533
MAR-TRE-b77b7921-25
0.527
MAR-TRE-74c6519b-99
0.526
MAR-TRE-3e4e6814-99
0.525
MAR-TRE-04c86cea-8
0.522
MAR-TRE-04c86cea-59
0.516
MAR-TRE-b77b7921-46
0.511
MAR-TRE-74c6519b-20
0.510
MAR-TRE-3e4e6814-91
0.510
MAR-TRE-f6f5f473-49
0.500
MAR-TRE-b77b7921-51
0.494
MAR-TRE-74c6519b-2
0.490
MAR-TRE-b77b7921-45
0.490
MAR-TRE-d0525fbf-46
0.489
MAR-TRE-74c6519b-83
0.483
MAR-TRE-4b834d9a-34
0.483
MAR-TRE-7f7bb9f0-10
0.477
MAR-TRE-d0525fbf-59
0.466
MAR-TRE-04c86cea-37
0.464
MAR-TRE-b77b7921-12
0.464
MAR-TRE-04c86cea-61
0.462
MAR-TRE-d0525fbf-58
0.458
MAR-TRE-3e4e6814-42
0.456
MAR-TRE-d0525fbf-67
0.451
MAR-TRE-74c6519b-94
0.444
MAR-TRE-f6f5f473-86
0.438
MAR-TRE-b77b7921-76
0.438
MAR-TRE-b77b7921-14
0.438
MAR-TRE-b77b7921-50
0.427
MAR-TRE-3e4e6814-77
0.426
MAR-TRE-9c797165-19
0.425
MAR-TRE-74c6519b-22
0.423
MAR-TRE-3e4e6814-30
0.423
MAR-TRE-b77b7921-64
0.420
MAR-TRE-d0525fbf-18
0.419
MAR-TRE-4b834d9a-19
0.418
MAR-TRE-74c6519b-62
0.413
MAR-TRE-d0525fbf-42
0.412
MAR-TRE-74c6519b-38
0.406
MAR-TRE-f6f5f473-7
0.406
MAR-TRE-04c86cea-15
0.402
MAR-TRE-b77b7921-21
0.398
MAR-TRE-7f7bb9f0-52
0.398
MAR-TRE-74c6519b-31
0.396
MAR-TRE-f6f5f473-13
0.394
MAR-TRE-74c6519b-33
0.392
MAR-TRE-04c86cea-98
0.392
MAR-TRE-7f7bb9f0-40
0.388
MAR-TRE-d0525fbf-56
0.388
MAR-TRE-3e4e6814-40
0.388
MAR-TRE-b77b7921-37
0.388
MAR-TRE-3e4e6814-44
0.385
MAR-TRE-d0525fbf-48
0.382
MAR-TRE-3e4e6814-29
0.382
MAR-TRE-b77b7921-36
0.381
MAR-TRE-4b834d9a-50
0.380
MAR-TRE-4b834d9a-52
0.380
MAR-TRE-f6f5f473-32
0.380
MAR-TRE-d0525fbf-27
0.379
MAR-TRE-74c6519b-15
0.379
MAR-TRE-4b834d9a-81
0.378
MAR-TRE-b77b7921-60
0.377
MAR-TRE-74c6519b-28
0.376
MAR-TRE-3e4e6814-32
0.373
MAR-TRE-04c86cea-92
0.373
MAR-TRE-d0525fbf-19
0.370
MAR-TRE-7f7bb9f0-24
0.369
MAR-TRE-4b834d9a-41
0.369
MAR-TRE-b77b7921-86
0.368
MAR-TRE-7f7bb9f0-77
0.366
MAR-TRE-4b834d9a-72
0.366
MAR-TRE-3e4e6814-48
0.366
MAR-TRE-74c6519b-74
0.366
MAR-TRE-d0525fbf-29
0.365
MAR-TRE-d0525fbf-47
0.363
MAR-TRE-d0525fbf-25
0.362
MAR-TRE-74c6519b-37
0.362
MAR-TRE-f6f5f473-10
0.360
MAR-TRE-04c86cea-30
0.359
MAR-TRE-d0525fbf-17
0.359
MAR-TRE-f6f5f473-21
0.359
MAR-TRE-04c86cea-2
0.359
MAR-TRE-d0525fbf-40
0.358
MAR-TRE-74c6519b-87
0.358
MAR-TRE-d0525fbf-1
0.356