Molecular Properties | |
SMILES: | Cc1ccc(C)c(Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3ncccc32)c1 |
MW: | 415.15 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 75.35 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3455818760 |
MolPort: | MolPort-003-108-080 |
Filter82_pyridinium
MAR-TRE-04c86cea-98
0.761
MAR-TRE-04c86cea-37
0.722
MAR-TRE-04c86cea-61
0.693
MAR-TRE-b77b7921-64
0.685
MAR-TRE-b77b7921-14
0.678
MAR-TRE-b77b7921-37
0.677
MAR-TRE-b77b7921-12
0.667
MAR-TRE-b77b7921-79
0.667
MAR-TRE-f6f5f473-11
0.637
MAR-TRE-f6f5f473-32
0.636
MAR-TRE-d0525fbf-19
0.630
MAR-TRE-d0525fbf-57
0.622
MAR-TRE-74c6519b-22
0.610
MAR-TRE-d0525fbf-40
0.602
MAR-TRE-d0525fbf-13
0.596
MAR-TRE-b77b7921-56
0.586
MAR-TRE-b77b7921-94
0.535
MAR-TRE-3e4e6814-38
0.523
MAR-TRE-b77b7921-38
0.523
MAR-TRE-04c86cea-28
0.518
MAR-TRE-74c6519b-94
0.474
MAR-TRE-3e4e6814-42
0.455
MAR-TRE-04c86cea-26
0.450
MAR-TRE-d0525fbf-86
0.434
MAR-TRE-f6f5f473-86
0.424
MAR-TRE-f6f5f473-49
0.422
MAR-TRE-d0525fbf-59
0.420
MAR-TRE-4b834d9a-80
0.416
MAR-TRE-d0525fbf-46
0.412
MAR-TRE-d0525fbf-67
0.408
MAR-TRE-3e4e6814-99
0.406
MAR-TRE-4b834d9a-34
0.406
MAR-TRE-b77b7921-32
0.404
MAR-TRE-7f7bb9f0-10
0.402
MAR-TRE-74c6519b-33
0.396
MAR-TRE-74c6519b-83
0.394
MAR-TRE-b77b7921-33
0.394
MAR-TRE-b77b7921-41
0.390
MAR-TRE-b77b7921-50
0.389
MAR-TRE-3e4e6814-30
0.385
MAR-TRE-04c86cea-50
0.384
MAR-TRE-b77b7921-49
0.382
MAR-TRE-d0525fbf-16
0.381
MAR-TRE-74c6519b-37
0.381
MAR-TRE-b77b7921-51
0.377
MAR-TRE-b77b7921-62
0.377
MAR-TRE-d0525fbf-39
0.375
MAR-TRE-04c86cea-59
0.375
MAR-TRE-04c86cea-18
0.375
MAR-TRE-3e4e6814-77
0.374
MAR-TRE-74c6519b-40
0.372
MAR-TRE-b77b7921-76
0.369
MAR-TRE-04c86cea-15
0.368
MAR-TRE-d0525fbf-18
0.368
MAR-TRE-f6f5f473-57
0.368
MAR-TRE-f6f5f473-21
0.366
MAR-TRE-4b834d9a-19
0.365
MAR-TRE-74c6519b-21
0.365
MAR-TRE-3e4e6814-11
0.363
MAR-TRE-3e4e6814-29
0.363
MAR-TRE-b77b7921-86
0.362
MAR-TRE-b77b7921-36
0.361
MAR-TRE-3e4e6814-48
0.360
MAR-TRE-74c6519b-28
0.357
MAR-TRE-d0525fbf-56
0.357
MAR-TRE-04c86cea-67
0.357
MAR-TRE-9c797165-19
0.356
MAR-TRE-3e4e6814-32
0.354
MAR-TRE-d0525fbf-42
0.353
MAR-TRE-04c86cea-24
0.350
MAR-TRE-f6f5f473-38
0.345
MAR-TRE-b77b7921-31
0.345
MAR-TRE-b77b7921-45
0.345
JOH-UNI-e19b918c-9
0.344
MAR-TRE-f6f5f473-10
0.342
MAR-TRE-b77b7921-21
0.342
MAR-TRE-04c86cea-66
0.342
MAR-TRE-b77b7921-24
0.342
MAR-TRE-3e4e6814-44
0.339
MAR-TRE-74c6519b-31
0.339
MAR-TRE-b77b7921-82
0.339
MAR-TRE-d0525fbf-73
0.337
MAR-TRE-74c6519b-74
0.336
MAR-TRE-d0525fbf-27
0.336
MAR-TRE-74c6519b-15
0.336
MAR-TRE-d0525fbf-20
0.336
MAR-TRE-d0525fbf-32
0.333
MAR-TRE-4b834d9a-81
0.333
MAR-TRE-b77b7921-57
0.333
MAR-TRE-f6f5f473-7
0.333
MAR-TRE-74c6519b-99
0.331
MAR-TRE-04c86cea-99
0.331
MAR-TRE-4b834d9a-28
0.331
MAR-TRE-f6f5f473-3
0.331
MAR-TRE-d0525fbf-17
0.330
MAR-TRE-04c86cea-30
0.330
MAR-TRE-04c86cea-92
0.330
MAR-TRE-f6f5f473-19
0.330
MAR-TRE-74c6519b-80
0.328
MAR-TRE-d0525fbf-48
0.328