Molecular Properties | |
SMILES: | COc1cc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc(OC)c1 |
MW: | 421.14 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 75.35 |
cLogP: | 2.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7226783780 |
MolPort: | MolPort-003-108-188 |
Filter82_pyridinium
MAR-TRE-d0525fbf-59
0.817
MAR-TRE-d0525fbf-46
0.795
MAR-TRE-3e4e6814-42
0.795
MAR-TRE-4b834d9a-34
0.767
MAR-TRE-7f7bb9f0-10
0.757
MAR-TRE-d0525fbf-16
0.692
MAR-TRE-d0525fbf-18
0.671
MAR-TRE-b77b7921-49
0.641
MAR-TRE-b77b7921-76
0.620
MAR-TRE-3e4e6814-44
0.602
MAR-TRE-b77b7921-14
0.586
MAR-TRE-74c6519b-87
0.574
MAR-TRE-d0525fbf-31
0.548
MAR-TRE-d0525fbf-86
0.536
MAR-TRE-d0525fbf-17
0.522
MAR-TRE-d0525fbf-15
0.515
MAR-TRE-3e4e6814-99
0.506
MAR-TRE-b77b7921-42
0.495
MAR-TRE-d0525fbf-60
0.495
MAR-TRE-f6f5f473-86
0.488
MAR-TRE-74c6519b-83
0.483
MAR-TRE-4b834d9a-80
0.477
MAR-TRE-04c86cea-50
0.476
MAR-TRE-d0525fbf-20
0.475
MAR-TRE-d0525fbf-25
0.474
MAR-TRE-04c86cea-2
0.474
MAR-TRE-d0525fbf-32
0.470
MAR-TRE-b77b7921-82
0.469
MAR-TRE-d0525fbf-1
0.469
MAR-TRE-3e4e6814-30
0.468
MAR-TRE-4b834d9a-19
0.466
MAR-TRE-b77b7921-51
0.462
MAR-TRE-74c6519b-94
0.461
MAR-TRE-b77b7921-57
0.459
MAR-TRE-04c86cea-67
0.459
MAR-TRE-74c6519b-62
0.455
MAR-TRE-74c6519b-21
0.455
MAR-TRE-7f7bb9f0-77
0.453
MAR-TRE-4b834d9a-72
0.453
MAR-TRE-b77b7921-33
0.451
MAR-TRE-b77b7921-12
0.449
MAR-TRE-04c86cea-61
0.447
MAR-TRE-b77b7921-41
0.446
MAR-TRE-b77b7921-60
0.446
MAR-TRE-b77b7921-21
0.440
MAR-TRE-f6f5f473-49
0.435
MAR-TRE-f6f5f473-11
0.432
MAR-TRE-b77b7921-62
0.430
MAR-TRE-74c6519b-2
0.430
MAR-TRE-b77b7921-37
0.430
MAR-TRE-b77b7921-6
0.426
MAR-TRE-9c797165-19
0.425
MAR-TRE-4b834d9a-41
0.424
MAR-TRE-7f7bb9f0-24
0.424
MAR-TRE-f6f5f473-48
0.421
MAR-TRE-04c86cea-37
0.420
MAR-TRE-b77b7921-79
0.420
MAR-TRE-04c86cea-26
0.419
MAR-TRE-04c86cea-29
0.417
MAR-TRE-b77b7921-32
0.415
MAR-TRE-b77b7921-86
0.413
MAR-TRE-b77b7921-50
0.412
MAR-TRE-b77b7921-24
0.412
MAR-TRE-b77b7921-36
0.411
MAR-TRE-d0525fbf-48
0.410
MAR-TRE-74c6519b-22
0.410
MAR-TRE-f6f5f473-13
0.408
MAR-TRE-b77b7921-64
0.406
MAR-TRE-74c6519b-1
0.406
MAR-TRE-04c86cea-98
0.406
MAR-TRE-d0525fbf-47
0.404
MAR-TRE-04c86cea-15
0.402
MAR-TRE-3e4e6814-29
0.396
MAR-TRE-3e4e6814-77
0.396
MAR-TRE-74c6519b-74
0.394
MAR-TRE-74c6519b-40
0.392
MAR-TRE-74c6519b-38
0.392
MAR-TRE-74c6519b-28
0.390
MAR-TRE-7f7bb9f0-40
0.388
MAR-TRE-b77b7921-31
0.388
MAR-TRE-3e4e6814-32
0.386
MAR-TRE-f6f5f473-21
0.386
MAR-TRE-d0525fbf-73
0.385
MAR-TRE-d0525fbf-42
0.385
MAR-TRE-7f7bb9f0-52
0.384
MAR-TRE-3e4e6814-11
0.382
MAR-TRE-04c86cea-18
0.382
MAR-TRE-74c6519b-31
0.382
MAR-TRE-3e4e6814-48
0.380
MAR-TRE-74c6519b-33
0.379
MAR-TRE-4b834d9a-81
0.378
MAR-TRE-f6f5f473-7
0.378
MAR-TRE-d0525fbf-76
0.376
MAR-TRE-74c6519b-37
0.375
MAR-TRE-d0525fbf-56
0.375
MAR-TRE-04c86cea-30
0.373
MAR-TRE-d0525fbf-58
0.373
MAR-TRE-d0525fbf-19
0.370
MAR-TRE-74c6519b-32
0.369
MAR-TRE-3e4e6814-91
0.368