Molecular Properties | |
SMILES: | O=c1c2ncccc2n(Cc2ccc(F)cc2)c(=O)n1Cc1cccnc1 |
MW: | 362.12 |
Fraction sp3: | 0.1 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 69.78 |
cLogP: | 2.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2506223572 |
MolPort: | MolPort-003-122-274 |
Filter82_pyridinium
MAR-TRE-04c86cea-50
0.765
MAR-TRE-b77b7921-41
0.697
MAR-TRE-b77b7921-33
0.684
MAR-TRE-d0525fbf-16
0.662
MAR-TRE-74c6519b-2
0.655
MAR-TRE-b77b7921-32
0.654
MAR-TRE-b77b7921-76
0.653
MAR-TRE-d0525fbf-67
0.641
MAR-TRE-04c86cea-26
0.641
MAR-TRE-d0525fbf-73
0.627
MAR-TRE-f6f5f473-11
0.610
MAR-TRE-b77b7921-14
0.595
MAR-TRE-3e4e6814-99
0.553
MAR-TRE-3e4e6814-91
0.549
MAR-TRE-b77b7921-13
0.540
MAR-TRE-b77b7921-46
0.534
MAR-TRE-04c86cea-8
0.528
MAR-TRE-b77b7921-45
0.527
MAR-TRE-04c86cea-59
0.522
MAR-TRE-b77b7921-25
0.516
MAR-TRE-3e4e6814-83
0.516
MAR-TRE-74c6519b-20
0.516
MAR-TRE-d0525fbf-17
0.511
MAR-TRE-74c6519b-80
0.510
MAR-TRE-d0525fbf-59
0.506
MAR-TRE-d0525fbf-86
0.506
MAR-TRE-4b834d9a-80
0.500
MAR-TRE-d0525fbf-60
0.500
MAR-TRE-74c6519b-99
0.500
MAR-TRE-04c86cea-2
0.495
MAR-TRE-d0525fbf-46
0.494
MAR-TRE-3e4e6814-42
0.494
MAR-TRE-f6f5f473-86
0.494
MAR-TRE-d0525fbf-1
0.489
MAR-TRE-4b834d9a-34
0.488
MAR-TRE-74c6519b-87
0.485
MAR-TRE-b77b7921-51
0.483
MAR-TRE-7f7bb9f0-10
0.482
MAR-TRE-d0525fbf-32
0.474
MAR-TRE-7f7bb9f0-77
0.473
MAR-TRE-4b834d9a-72
0.473
MAR-TRE-b77b7921-12
0.468
MAR-TRE-04c86cea-61
0.467
MAR-TRE-74c6519b-94
0.465
MAR-TRE-d0525fbf-31
0.458
MAR-TRE-3e4e6814-30
0.457
MAR-TRE-74c6519b-83
0.455
MAR-TRE-b77b7921-62
0.449
MAR-TRE-9c797165-19
0.446
MAR-TRE-b77b7921-6
0.443
MAR-TRE-f6f5f473-49
0.438
MAR-TRE-b77b7921-79
0.438
MAR-TRE-4b834d9a-19
0.437
MAR-TRE-04c86cea-29
0.435
MAR-TRE-b77b7921-37
0.433
MAR-TRE-b77b7921-86
0.432
MAR-TRE-b77b7921-50
0.430
MAR-TRE-74c6519b-21
0.429
MAR-TRE-7f7bb9f0-24
0.427
MAR-TRE-4b834d9a-41
0.427
MAR-TRE-74c6519b-22
0.426
MAR-TRE-74c6519b-38
0.424
MAR-TRE-04c86cea-37
0.423
MAR-TRE-74c6519b-1
0.423
MAR-TRE-d0525fbf-18
0.422
MAR-TRE-d0525fbf-15
0.416
MAR-TRE-b77b7921-36
0.413
MAR-TRE-d0525fbf-48
0.412
MAR-TRE-b77b7921-64
0.408
MAR-TRE-d0525fbf-47
0.406
MAR-TRE-7f7bb9f0-52
0.400
MAR-TRE-b77b7921-21
0.400
MAR-TRE-b77b7921-42
0.396
MAR-TRE-74c6519b-74
0.396
MAR-TRE-4b834d9a-52
0.396
MAR-TRE-04c86cea-98
0.394
MAR-TRE-4b834d9a-81
0.394
MAR-TRE-f6f5f473-7
0.394
MAR-TRE-d0525fbf-76
0.392
MAR-TRE-d0525fbf-25
0.390
MAR-TRE-7f7bb9f0-40
0.390
MAR-TRE-f6f5f473-21
0.388
MAR-TRE-3e4e6814-44
0.387
MAR-TRE-b77b7921-82
0.384
MAR-TRE-3e4e6814-11
0.384
MAR-TRE-74c6519b-31
0.384
MAR-TRE-3e4e6814-77
0.383
MAR-TRE-f6f5f473-13
0.382
MAR-TRE-4b834d9a-50
0.381
MAR-TRE-3e4e6814-48
0.381
MAR-TRE-74c6519b-40
0.380
MAR-TRE-b77b7921-60
0.379
MAR-TRE-74c6519b-28
0.378
MAR-TRE-04c86cea-67
0.376
MAR-TRE-b77b7921-57
0.376
MAR-TRE-d0525fbf-58
0.374
MAR-TRE-3e4e6814-32
0.374
MAR-TRE-04c86cea-30
0.374
MAR-TRE-04c86cea-92
0.374
MAR-TRE-b77b7921-24
0.373