Molecular Properties | |
SMILES: | O=c1c2ncccc2n(Cc2ccc(F)cc2)c(=O)n1Cc1ccccn1 |
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-5505643430 |
MolPort: | MolPort-003-122-180 |
Filter82_pyridinium
MAR-TRE-f6f5f473-86
0.771
MAR-TRE-b77b7921-51
0.720
MAR-TRE-74c6519b-83
0.707
MAR-TRE-b77b7921-86
0.680
MAR-TRE-b77b7921-62
0.675
MAR-TRE-f6f5f473-49
0.662
MAR-TRE-d0525fbf-18
0.662
MAR-TRE-b77b7921-49
0.653
MAR-TRE-74c6519b-1
0.643
MAR-TRE-74c6519b-38
0.637
MAR-TRE-d0525fbf-67
0.620
MAR-TRE-d0525fbf-76
0.607
MAR-TRE-3e4e6814-77
0.605
MAR-TRE-d0525fbf-34
0.600
MAR-TRE-b77b7921-14
0.576
MAR-TRE-f6f5f473-10
0.571
MAR-TRE-f6f5f473-19
0.553
MAR-TRE-d0525fbf-62
0.534
MAR-TRE-3e4e6814-99
0.532
MAR-TRE-3e4e6814-15
0.527
MAR-TRE-b77b7921-58
0.523
MAR-TRE-b77b7921-1
0.523
MAR-TRE-04c86cea-3
0.516
MAR-TRE-d0525fbf-49
0.511
MAR-TRE-74c6519b-4
0.500
MAR-TRE-04c86cea-10
0.500
MAR-TRE-04c86cea-50
0.500
MAR-TRE-f6f5f473-38
0.500
MAR-TRE-3e4e6814-40
0.495
MAR-TRE-d0525fbf-17
0.495
MAR-TRE-74c6519b-34
0.490
MAR-TRE-04c86cea-22
0.489
MAR-TRE-d0525fbf-59
0.488
MAR-TRE-d0525fbf-86
0.488
MAR-TRE-3e4e6814-46
0.484
MAR-TRE-04c86cea-42
0.484
MAR-TRE-d0525fbf-60
0.484
MAR-TRE-74c6519b-94
0.482
MAR-TRE-74c6519b-43
0.479
MAR-TRE-04c86cea-43
0.479
MAR-TRE-04c86cea-2
0.478
MAR-TRE-d0525fbf-46
0.477
MAR-TRE-3e4e6814-42
0.477
MAR-TRE-04c86cea-99
0.474
MAR-TRE-d0525fbf-1
0.473
MAR-TRE-4b834d9a-34
0.471
MAR-TRE-04c86cea-24
0.469
MAR-TRE-b77b7921-41
0.466
MAR-TRE-7f7bb9f0-10
0.465
MAR-TRE-4b834d9a-80
0.465
MAR-TRE-d0525fbf-32
0.459
MAR-TRE-4b834d9a-72
0.457
MAR-TRE-7f7bb9f0-77
0.457
MAR-TRE-74c6519b-87
0.455
MAR-TRE-04c86cea-61
0.451
MAR-TRE-b77b7921-6
0.443
MAR-TRE-d0525fbf-31
0.443
MAR-TRE-b77b7921-33
0.438
MAR-TRE-04c86cea-26
0.438
MAR-TRE-b77b7921-12
0.438
MAR-TRE-04c86cea-29
0.435
MAR-TRE-b77b7921-32
0.433
MAR-TRE-74c6519b-2
0.433
MAR-TRE-b77b7921-37
0.433
MAR-TRE-4b834d9a-44
0.430
MAR-TRE-b77b7921-50
0.430
MAR-TRE-9c797165-19
0.429
MAR-TRE-3e4e6814-30
0.426
MAR-TRE-d0525fbf-16
0.422
MAR-TRE-4b834d9a-19
0.420
MAR-TRE-74c6519b-21
0.414
MAR-TRE-7f7bb9f0-24
0.412
MAR-TRE-4b834d9a-41
0.412
MAR-TRE-b77b7921-79
0.408
MAR-TRE-04c86cea-37
0.408
MAR-TRE-04c86cea-98
0.408
MAR-TRE-b77b7921-64
0.408
MAR-TRE-d0525fbf-47
0.406
MAR-TRE-d0525fbf-15
0.402
MAR-TRE-b77b7921-21
0.400
MAR-TRE-74c6519b-22
0.398
MAR-TRE-d0525fbf-48
0.398
MAR-TRE-b77b7921-36
0.398
MAR-TRE-b77b7921-42
0.396
MAR-TRE-4b834d9a-81
0.394
MAR-TRE-f6f5f473-11
0.389
MAR-TRE-3e4e6814-44
0.387
MAR-TRE-d0525fbf-73
0.386
MAR-TRE-7f7bb9f0-52
0.385
MAR-TRE-74c6519b-32
0.384
MAR-TRE-b77b7921-82
0.384
MAR-TRE-3e4e6814-48
0.381
MAR-TRE-4b834d9a-52
0.381
MAR-TRE-74c6519b-74
0.381
MAR-TRE-f6f5f473-7
0.379
MAR-TRE-7f7bb9f0-40
0.376
MAR-TRE-04c86cea-67
0.376
MAR-TRE-04c86cea-15
0.376
MAR-TRE-d0525fbf-25
0.376
MAR-TRE-3e4e6814-32
0.374