Molecular Properties | |
SMILES: | O=c1c2ncccc2n(Cc2ccccc2F)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-9620272320 |
MolPort: | MolPort-003-122-285 |
Filter82_pyridinium
MAR-TRE-04c86cea-26
0.727
MAR-TRE-b77b7921-32
0.718
MAR-TRE-b77b7921-49
0.697
MAR-TRE-04c86cea-50
0.689
MAR-TRE-b77b7921-86
0.658
MAR-TRE-f6f5f473-11
0.631
MAR-TRE-b77b7921-37
0.618
MAR-TRE-b77b7921-33
0.602
MAR-TRE-d0525fbf-16
0.602
MAR-TRE-d0525fbf-73
0.588
MAR-TRE-74c6519b-20
0.537
MAR-TRE-74c6519b-2
0.532
MAR-TRE-b77b7921-13
0.527
MAR-TRE-74c6519b-94
0.523
MAR-TRE-b77b7921-46
0.522
MAR-TRE-04c86cea-8
0.516
MAR-TRE-b77b7921-25
0.505
MAR-TRE-3e4e6814-91
0.505
MAR-TRE-3e4e6814-99
0.500
MAR-TRE-04c86cea-59
0.495
MAR-TRE-b77b7921-45
0.485
MAR-TRE-3e4e6814-83
0.475
MAR-TRE-74c6519b-80
0.471
MAR-TRE-b77b7921-50
0.468
MAR-TRE-b77b7921-76
0.466
MAR-TRE-74c6519b-99
0.461
MAR-TRE-f6f5f473-49
0.446
MAR-TRE-d0525fbf-67
0.446
MAR-TRE-b77b7921-64
0.444
MAR-TRE-4b834d9a-34
0.444
MAR-TRE-04c86cea-98
0.444
MAR-TRE-b77b7921-51
0.441
MAR-TRE-4b834d9a-80
0.440
MAR-TRE-b77b7921-14
0.433
MAR-TRE-74c6519b-38
0.432
MAR-TRE-04c86cea-37
0.430
MAR-TRE-d0525fbf-47
0.429
MAR-TRE-d0525fbf-86
0.429
MAR-TRE-04c86cea-61
0.427
MAR-TRE-7f7bb9f0-10
0.424
MAR-TRE-3e4e6814-77
0.421
MAR-TRE-d0525fbf-46
0.419
MAR-TRE-74c6519b-22
0.419
MAR-TRE-3e4e6814-30
0.418
MAR-TRE-f6f5f473-86
0.418
MAR-TRE-b77b7921-12
0.416
MAR-TRE-d0525fbf-59
0.413
MAR-TRE-f6f5f473-10
0.412
MAR-TRE-b77b7921-62
0.411
MAR-TRE-9c797165-19
0.404
MAR-TRE-3e4e6814-42
0.404
MAR-TRE-4b834d9a-72
0.404
MAR-TRE-f6f5f473-32
0.402
MAR-TRE-74c6519b-83
0.400
MAR-TRE-d0525fbf-18
0.400
MAR-TRE-04c86cea-2
0.396
MAR-TRE-04c86cea-92
0.396
MAR-TRE-74c6519b-32
0.392
MAR-TRE-4b834d9a-41
0.392
MAR-TRE-b77b7921-42
0.390
MAR-TRE-f6f5f473-13
0.390
MAR-TRE-7f7bb9f0-77
0.390
MAR-TRE-d0525fbf-29
0.388
MAR-TRE-b77b7921-79
0.388
MAR-TRE-4b834d9a-81
0.388
MAR-TRE-4b834d9a-19
0.383
MAR-TRE-d0525fbf-17
0.382
MAR-TRE-3e4e6814-44
0.381
MAR-TRE-d0525fbf-1
0.379
MAR-TRE-7f7bb9f0-24
0.379
MAR-TRE-04c86cea-18
0.379
MAR-TRE-4b834d9a-52
0.376
MAR-TRE-f6f5f473-7
0.374
MAR-TRE-7f7bb9f0-40
0.371
MAR-TRE-b77b7921-31
0.371
MAR-TRE-04c86cea-15
0.371
MAR-TRE-04c86cea-29
0.370
MAR-TRE-7f7bb9f0-52
0.366
MAR-TRE-d0525fbf-48
0.365
MAR-TRE-f6f5f473-60
0.364
MAR-TRE-b77b7921-36
0.364
MAR-TRE-4b834d9a-50
0.363
MAR-TRE-d0525fbf-60
0.362
MAR-TRE-d0525fbf-34
0.359
MAR-TRE-3e4e6814-32
0.356
MAR-TRE-04c86cea-30
0.356
MAR-TRE-f6f5f473-21
0.356
MAR-TRE-74c6519b-21
0.355
MAR-TRE-d0525fbf-31
0.355
MAR-TRE-b77b7921-6
0.355
MAR-TRE-b77b7921-21
0.355
MAR-TRE-74c6519b-87
0.355
MAR-TRE-d0525fbf-19
0.353
MAR-TRE-74c6519b-89
0.352
MAR-TRE-04c86cea-22
0.352
MAR-TRE-04c86cea-23
0.352
MAR-TRE-74c6519b-31
0.352
MAR-TRE-b77b7921-82
0.352
MAR-TRE-f6f5f473-18
0.352
MAR-TRE-b77b7921-28
0.352