Molecular Properties | |
SMILES: | O=c1c2ncccc2n(Cc2cccc(F)c2)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-7584889158 |
MolPort: | MolPort-003-122-179 |
Filter82_pyridinium
MAR-TRE-f6f5f473-49
0.750
MAR-TRE-b77b7921-62
0.740
MAR-TRE-b77b7921-76
0.720
MAR-TRE-74c6519b-83
0.684
MAR-TRE-f6f5f473-86
0.654
MAR-TRE-d0525fbf-18
0.642
MAR-TRE-b77b7921-86
0.617
MAR-TRE-b77b7921-12
0.607
MAR-TRE-74c6519b-38
0.600
MAR-TRE-3e4e6814-15
0.582
MAR-TRE-3e4e6814-77
0.570
MAR-TRE-d0525fbf-34
0.562
MAR-TRE-b77b7921-21
0.559
MAR-TRE-f6f5f473-10
0.557
MAR-TRE-4b834d9a-80
0.523
MAR-TRE-f6f5f473-19
0.522
MAR-TRE-d0525fbf-76
0.522
MAR-TRE-74c6519b-1
0.521
MAR-TRE-b77b7921-1
0.511
MAR-TRE-f6f5f473-38
0.505
MAR-TRE-04c86cea-42
0.505
MAR-TRE-3e4e6814-99
0.500
MAR-TRE-b77b7921-58
0.495
MAR-TRE-b77b7921-33
0.494
MAR-TRE-d0525fbf-62
0.489
MAR-TRE-04c86cea-10
0.489
MAR-TRE-d0525fbf-49
0.485
MAR-TRE-3e4e6814-40
0.485
MAR-TRE-04c86cea-43
0.485
MAR-TRE-b77b7921-49
0.483
MAR-TRE-d0525fbf-86
0.477
MAR-TRE-74c6519b-4
0.474
MAR-TRE-04c86cea-3
0.474
MAR-TRE-04c86cea-50
0.471
MAR-TRE-04c86cea-99
0.465
MAR-TRE-04c86cea-22
0.464
MAR-TRE-d0525fbf-67
0.462
MAR-TRE-4b834d9a-34
0.461
MAR-TRE-04c86cea-24
0.460
MAR-TRE-3e4e6814-46
0.460
MAR-TRE-04c86cea-37
0.459
MAR-TRE-74c6519b-43
0.455
MAR-TRE-74c6519b-34
0.451
MAR-TRE-b77b7921-14
0.448
MAR-TRE-b77b7921-79
0.444
MAR-TRE-04c86cea-61
0.442
MAR-TRE-b77b7921-41
0.441
MAR-TRE-74c6519b-94
0.440
MAR-TRE-7f7bb9f0-10
0.440
MAR-TRE-d0525fbf-48
0.434
MAR-TRE-d0525fbf-16
0.430
MAR-TRE-04c86cea-26
0.430
MAR-TRE-d0525fbf-59
0.429
MAR-TRE-04c86cea-15
0.426
MAR-TRE-3e4e6814-42
0.419
MAR-TRE-d0525fbf-46
0.419
MAR-TRE-3e4e6814-91
0.417
MAR-TRE-f6f5f473-11
0.412
MAR-TRE-b77b7921-37
0.412
MAR-TRE-b77b7921-32
0.411
MAR-TRE-b77b7921-50
0.408
MAR-TRE-74c6519b-84
0.408
MAR-TRE-b77b7921-24
0.408
MAR-TRE-4b834d9a-41
0.406
MAR-TRE-4b834d9a-44
0.405
MAR-TRE-3e4e6814-30
0.404
MAR-TRE-04c86cea-98
0.402
MAR-TRE-3e4e6814-44
0.396
MAR-TRE-74c6519b-22
0.393
MAR-TRE-7f7bb9f0-24
0.392
MAR-TRE-4b834d9a-72
0.390
MAR-TRE-9c797165-19
0.389
MAR-TRE-b77b7921-64
0.388
MAR-TRE-d0525fbf-17
0.382
MAR-TRE-04c86cea-2
0.382
MAR-TRE-d0525fbf-73
0.380
MAR-TRE-f6f5f473-13
0.377
MAR-TRE-7f7bb9f0-77
0.376
MAR-TRE-f6f5f473-32
0.376
MAR-TRE-f6f5f473-7
0.374
MAR-TRE-d0525fbf-47
0.373
MAR-TRE-04c86cea-29
0.370
MAR-TRE-74c6519b-21
0.368
MAR-TRE-d0525fbf-1
0.365
MAR-TRE-74c6519b-31
0.365
MAR-TRE-b77b7921-36
0.364
MAR-TRE-4b834d9a-52
0.363
MAR-TRE-4b834d9a-81
0.360
MAR-TRE-7f7bb9f0-40
0.358
MAR-TRE-74c6519b-2
0.358
MAR-TRE-d0525fbf-15
0.358
MAR-TRE-3e4e6814-32
0.356
MAR-TRE-d0525fbf-58
0.356
MAR-TRE-04c86cea-92
0.356
MAR-TRE-b77b7921-6
0.355
MAR-TRE-74c6519b-87
0.355
MAR-TRE-4b834d9a-19
0.354
MAR-TRE-7f7bb9f0-52
0.353
MAR-TRE-d0525fbf-19
0.353
MAR-TRE-04c86cea-23
0.352