Molecular Properties | |
SMILES: | COc1ccc(CCn2c(=O)c3ncccc3n(Cc3cccc(Cl)c3)c2=O)cc1OC |
MW: | 451.13 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 75.35 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8821849538 |
MolPort: | MolPort-003-108-273 |
Filter82_pyridinium
MAR-TRE-04c86cea-15
0.782
MAR-TRE-b77b7921-21
0.773
MAR-TRE-b77b7921-31
0.685
MAR-TRE-04c86cea-18
0.663
MAR-TRE-4b834d9a-98
0.633
MAR-TRE-d0525fbf-24
0.588
MAR-TRE-4b834d9a-80
0.578
MAR-TRE-b77b7921-62
0.559
MAR-TRE-b77b7921-33
0.548
MAR-TRE-3e4e6814-44
0.510
MAR-TRE-b77b7921-79
0.510
MAR-TRE-3e4e6814-24
0.464
MAR-TRE-d0525fbf-46
0.444
MAR-TRE-74c6519b-62
0.432
MAR-TRE-74c6519b-89
0.430
MAR-TRE-f6f5f473-49
0.426
MAR-TRE-d0525fbf-59
0.424
MAR-TRE-d0525fbf-86
0.424
MAR-TRE-4b834d9a-34
0.424
MAR-TRE-7f7bb9f0-10
0.420
MAR-TRE-3e4e6814-42
0.416
MAR-TRE-d0525fbf-67
0.412
MAR-TRE-74c6519b-83
0.412
MAR-TRE-b77b7921-51
0.408
MAR-TRE-d0525fbf-58
0.407
MAR-TRE-d0525fbf-16
0.398
MAR-TRE-d0525fbf-18
0.398
MAR-TRE-3e4e6814-99
0.396
MAR-TRE-74c6519b-65
0.394
MAR-TRE-b77b7921-65
0.391
MAR-TRE-3e4e6814-83
0.389
MAR-TRE-3e4e6814-98
0.387
MAR-TRE-04c86cea-37
0.387
MAR-TRE-f6f5f473-86
0.386
MAR-TRE-3e4e6814-77
0.377
MAR-TRE-b77b7921-12
0.375
MAR-TRE-04c86cea-50
0.374
MAR-TRE-b77b7921-49
0.373
MAR-TRE-b77b7921-76
0.373
MAR-TRE-3e4e6814-40
0.372
MAR-TRE-04c86cea-61
0.370
MAR-TRE-4b834d9a-19
0.369
MAR-TRE-d0525fbf-42
0.368
MAR-TRE-74c6519b-94
0.365
MAR-TRE-3e4e6814-30
0.364
MAR-TRE-d0525fbf-25
0.360
MAR-TRE-f6f5f473-11
0.358
MAR-TRE-b77b7921-32
0.355
MAR-TRE-74c6519b-80
0.353
MAR-TRE-b77b7921-14
0.351
MAR-TRE-74c6519b-33
0.351
MAR-TRE-b77b7921-64
0.351
MAR-TRE-f6f5f473-93
0.351
MAR-TRE-b77b7921-60
0.350
MAR-TRE-d0525fbf-20
0.350
MAR-TRE-f6f5f473-7
0.349
MAR-TRE-b77b7921-57
0.348
MAR-TRE-d0525fbf-15
0.347
MAR-TRE-9c797165-19
0.347
MAR-TRE-04c86cea-26
0.346
MAR-TRE-74c6519b-87
0.345
MAR-TRE-b77b7921-50
0.342
MAR-TRE-74c6519b-31
0.342
MAR-TRE-b77b7921-82
0.342
MAR-TRE-f6f5f473-13
0.342
MAR-TRE-b77b7921-42
0.342
MAR-TRE-74c6519b-15
0.339
MAR-TRE-04c86cea-98
0.339
MAR-TRE-d0525fbf-27
0.339
MAR-TRE-04c86cea-67
0.336
MAR-TRE-d0525fbf-56
0.336
MAR-TRE-74c6519b-34
0.336
MAR-TRE-74c6519b-22
0.333
MAR-TRE-f6f5f473-21
0.333
MAR-TRE-d0525fbf-31
0.333
MAR-TRE-3e4e6814-32
0.333
MAR-TRE-74c6519b-32
0.330
MAR-TRE-3e4e6814-11
0.330
MAR-TRE-3e4e6814-29
0.330
MAR-TRE-7f7bb9f0-52
0.330
MAR-TRE-b77b7921-41
0.330
MAR-TRE-74c6519b-40
0.328
MAR-TRE-74c6519b-74
0.327
MAR-TRE-4b834d9a-52
0.327
MAR-TRE-4b834d9a-50
0.327
MAR-TRE-b77b7921-36
0.327
MAR-TRE-d0525fbf-73
0.327
MAR-TRE-b77b7921-37
0.325
MAR-TRE-74c6519b-37
0.325
MAR-TRE-7f7bb9f0-40
0.325
MAR-TRE-4b834d9a-68
0.325
MAR-TRE-74c6519b-28
0.325
MAR-TRE-74c6519b-38
0.324
MAR-TRE-f6f5f473-48
0.323
MAR-TRE-74c6519b-99
0.322
MAR-TRE-d0525fbf-40
0.322
MAR-TRE-74c6519b-21
0.322
MAR-TRE-d0525fbf-6
0.322
MAR-TRE-04c86cea-2
0.322
MAR-TRE-04c86cea-92
0.322