Molecular Properties | |
SMILES: | O=c1c2ncccc2n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc2c(c1)OCO2 |
MW: | 405.11 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 75.35 |
cLogP: | 2.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3591220633 |
MolPort: | MolPort-003-108-078 |
Filter82_pyridinium
MAR-TRE-04c86cea-61
0.797
MAR-TRE-b77b7921-12
0.783
MAR-TRE-b77b7921-37
0.753
MAR-TRE-b77b7921-79
0.741
MAR-TRE-b77b7921-64
0.721
MAR-TRE-04c86cea-37
0.721
MAR-TRE-74c6519b-22
0.711
MAR-TRE-04c86cea-98
0.701
MAR-TRE-d0525fbf-19
0.682
MAR-TRE-f6f5f473-13
0.678
MAR-TRE-f6f5f473-32
0.649
MAR-TRE-b77b7921-56
0.630
MAR-TRE-d0525fbf-40
0.630
MAR-TRE-d0525fbf-13
0.624
MAR-TRE-d0525fbf-57
0.617
MAR-TRE-b77b7921-49
0.595
MAR-TRE-d0525fbf-67
0.586
MAR-TRE-b77b7921-76
0.576
MAR-TRE-b77b7921-94
0.574
MAR-TRE-3e4e6814-38
0.558
MAR-TRE-b77b7921-38
0.558
MAR-TRE-04c86cea-28
0.537
MAR-TRE-d0525fbf-86
0.484
MAR-TRE-d0525fbf-17
0.475
MAR-TRE-d0525fbf-59
0.467
MAR-TRE-d0525fbf-60
0.465
MAR-TRE-d0525fbf-46
0.457
MAR-TRE-3e4e6814-42
0.457
MAR-TRE-d0525fbf-32
0.457
MAR-TRE-3e4e6814-99
0.455
MAR-TRE-74c6519b-83
0.453
MAR-TRE-b77b7921-51
0.448
MAR-TRE-4b834d9a-80
0.447
MAR-TRE-04c86cea-50
0.444
MAR-TRE-f6f5f473-86
0.441
MAR-TRE-74c6519b-87
0.439
MAR-TRE-b77b7921-33
0.438
MAR-TRE-4b834d9a-34
0.436
MAR-TRE-b77b7921-41
0.433
MAR-TRE-7f7bb9f0-10
0.432
MAR-TRE-04c86cea-2
0.431
MAR-TRE-d0525fbf-1
0.427
MAR-TRE-b77b7921-32
0.418
MAR-TRE-b77b7921-62
0.418
MAR-TRE-74c6519b-94
0.417
MAR-TRE-d0525fbf-31
0.415
MAR-TRE-7f7bb9f0-77
0.412
MAR-TRE-4b834d9a-72
0.412
MAR-TRE-d0525fbf-16
0.408
MAR-TRE-f6f5f473-49
0.408
MAR-TRE-74c6519b-2
0.406
MAR-TRE-b77b7921-86
0.402
MAR-TRE-b77b7921-6
0.402
MAR-TRE-74c6519b-21
0.402
MAR-TRE-3e4e6814-30
0.398
MAR-TRE-d0525fbf-18
0.394
MAR-TRE-04c86cea-26
0.394
MAR-TRE-04c86cea-29
0.392
MAR-TRE-f6f5f473-11
0.392
MAR-TRE-4b834d9a-19
0.392
MAR-TRE-d0525fbf-15
0.391
MAR-TRE-b77b7921-50
0.388
MAR-TRE-7f7bb9f0-24
0.387
MAR-TRE-4b834d9a-41
0.387
MAR-TRE-3e4e6814-77
0.386
MAR-TRE-74c6519b-1
0.383
MAR-TRE-9c797165-19
0.383
MAR-TRE-b77b7921-21
0.376
MAR-TRE-d0525fbf-48
0.374
MAR-TRE-d0525fbf-39
0.374
MAR-TRE-e86a56b5-95
0.374
MAR-TRE-b77b7921-36
0.373
MAR-TRE-74c6519b-38
0.369
MAR-TRE-74c6519b-11
0.363
MAR-TRE-b77b7921-82
0.361
MAR-TRE-d0525fbf-73
0.361
MAR-TRE-b77b7921-42
0.360
MAR-TRE-74c6519b-40
0.358
JOH-UNI-e19b918c-9
0.357
MAR-TRE-d0525fbf-20
0.357
MAR-TRE-4b834d9a-81
0.356
MAR-TRE-d0525fbf-47
0.355
MAR-TRE-d0525fbf-88
0.355
MAR-TRE-d0525fbf-76
0.355
MAR-TRE-d0525fbf-25
0.355
MAR-TRE-7f7bb9f0-40
0.355
MAR-TRE-b77b7921-57
0.355
MAR-TRE-04c86cea-92
0.352
MAR-TRE-b77b7921-24
0.351
MAR-TRE-3e4e6814-44
0.350
MAR-TRE-7f7bb9f0-52
0.349
MAR-TRE-74c6519b-31
0.349
MAR-TRE-3e4e6814-91
0.348
MAR-TRE-4b834d9a-50
0.346
MAR-TRE-74c6519b-74
0.346
MAR-TRE-d0525fbf-66
0.345
MAR-TRE-d0525fbf-29
0.345
JOH-UNI-e19b918c-8
0.345
MAR-TRE-f6f5f473-7
0.343
MAR-TRE-74c6519b-28
0.343