Molecular Properties | |
SMILES: | COc1ccc(CCn2c(=O)c3ncccc3n(Cc3cccc(F)c3)c2=O)cc1OC |
MW: | 435.16 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 75.35 |
cLogP: | 3.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7682236826 |
MolPort: | MolPort-003-108-256 |
Filter82_pyridinium
MAR-TRE-04c86cea-15
0.782
MAR-TRE-b77b7921-24
0.773
MAR-TRE-04c86cea-18
0.663
MAR-TRE-4b834d9a-98
0.652
MAR-TRE-b77b7921-31
0.649
MAR-TRE-d0525fbf-24
0.604
MAR-TRE-b77b7921-51
0.559
MAR-TRE-3e4e6814-44
0.510
MAR-TRE-b77b7921-12
0.510
MAR-TRE-3e4e6814-24
0.464
MAR-TRE-74c6519b-89
0.443
MAR-TRE-d0525fbf-67
0.440
MAR-TRE-f6f5f473-49
0.426
MAR-TRE-4b834d9a-80
0.420
MAR-TRE-d0525fbf-59
0.410
MAR-TRE-4b834d9a-34
0.410
MAR-TRE-74c6519b-65
0.408
MAR-TRE-b77b7921-62
0.408
MAR-TRE-7f7bb9f0-10
0.406
MAR-TRE-b77b7921-65
0.404
MAR-TRE-3e4e6814-42
0.402
MAR-TRE-d0525fbf-46
0.402
MAR-TRE-b77b7921-49
0.400
MAR-TRE-b77b7921-76
0.400
MAR-TRE-3e4e6814-98
0.400
MAR-TRE-b77b7921-33
0.398
MAR-TRE-d0525fbf-16
0.398
MAR-TRE-d0525fbf-18
0.398
MAR-TRE-d0525fbf-86
0.396
MAR-TRE-04c86cea-37
0.387
MAR-TRE-74c6519b-83
0.385
MAR-TRE-d0525fbf-15
0.383
MAR-TRE-3e4e6814-99
0.381
MAR-TRE-d0525fbf-48
0.378
MAR-TRE-b77b7921-14
0.376
MAR-TRE-b77b7921-79
0.375
MAR-TRE-f6f5f473-86
0.373
MAR-TRE-74c6519b-87
0.368
MAR-TRE-3e4e6814-91
0.365
MAR-TRE-3e4e6814-30
0.364
MAR-TRE-04c86cea-50
0.360
MAR-TRE-74c6519b-62
0.359
MAR-TRE-04c86cea-61
0.358
MAR-TRE-f6f5f473-11
0.358
MAR-TRE-d0525fbf-17
0.357
MAR-TRE-74c6519b-21
0.357
MAR-TRE-d0525fbf-31
0.357
MAR-TRE-b77b7921-41
0.355
MAR-TRE-4b834d9a-41
0.354
MAR-TRE-7f7bb9f0-24
0.354
MAR-TRE-b77b7921-42
0.353
MAR-TRE-74c6519b-94
0.352
MAR-TRE-3e4e6814-15
0.348
MAR-TRE-b77b7921-37
0.348
MAR-TRE-04c86cea-26
0.346
MAR-TRE-04c86cea-2
0.345
MAR-TRE-4b834d9a-2
0.343
MAR-TRE-d0525fbf-1
0.342
MAR-TRE-f6f5f473-13
0.342
MAR-TRE-b77b7921-86
0.340
MAR-TRE-04c86cea-98
0.339
MAR-TRE-b77b7921-60
0.339
MAR-TRE-74c6519b-2
0.336
MAR-TRE-b77b7921-57
0.336
MAR-TRE-d0525fbf-25
0.336
MAR-TRE-9c797165-19
0.333
MAR-TRE-74c6519b-22
0.333
MAR-TRE-74c6519b-84
0.333
MAR-TRE-d0525fbf-58
0.333
MAR-TRE-d0525fbf-70
0.331
MAR-TRE-74c6519b-31
0.330
MAR-TRE-b77b7921-82
0.330
MAR-TRE-b77b7921-50
0.330
MAR-TRE-b77b7921-32
0.330
MAR-TRE-4b834d9a-19
0.330
MAR-TRE-d0525fbf-20
0.328
MAR-TRE-d0525fbf-60
0.328
MAR-TRE-74c6519b-1
0.328
MAR-TRE-74c6519b-15
0.328
MAR-TRE-b77b7921-64
0.328
MAR-TRE-4b834d9a-72
0.327
MAR-TRE-74c6519b-74
0.327
MAR-TRE-7f7bb9f0-77
0.327
MAR-TRE-4b834d9a-25
0.327
MAR-TRE-3e4e6814-77
0.327
MAR-TRE-b77b7921-36
0.327
MAR-TRE-d0525fbf-73
0.327
MAR-TRE-04c86cea-67
0.325
MAR-TRE-d0525fbf-47
0.325
MAR-TRE-74c6519b-38
0.324
MAR-TRE-f6f5f473-7
0.324
MAR-TRE-d0525fbf-40
0.322
MAR-TRE-f6f5f473-21
0.322
MAR-TRE-3e4e6814-32
0.322
MAR-TRE-f6f5f473-32
0.320
MAR-TRE-3e4e6814-83
0.319
MAR-TRE-d0525fbf-8
0.319
MAR-TRE-3e4e6814-11
0.319
MAR-TRE-3e4e6814-29
0.319
MAR-TRE-74c6519b-32
0.319