Molecular Properties | |
SMILES: | Cc1cccc(Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3ncccc32)c1 |
MW: | 401.14 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 75.35 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3230017339 |
MolPort: | MolPort-003-108-079 |
Filter82_pyridinium
MAR-TRE-04c86cea-61
0.780
MAR-TRE-b77b7921-12
0.767
MAR-TRE-b77b7921-79
0.767
MAR-TRE-04c86cea-98
0.727
MAR-TRE-f6f5f473-13
0.722
MAR-TRE-b77b7921-14
0.721
MAR-TRE-b77b7921-37
0.719
MAR-TRE-b77b7921-64
0.689
MAR-TRE-f6f5f473-32
0.656
MAR-TRE-d0525fbf-19
0.652
MAR-TRE-74c6519b-22
0.646
MAR-TRE-d0525fbf-40
0.638
MAR-TRE-d0525fbf-13
0.632
MAR-TRE-b77b7921-56
0.621
MAR-TRE-f6f5f473-49
0.614
MAR-TRE-d0525fbf-57
0.608
MAR-TRE-b77b7921-94
0.567
MAR-TRE-b77b7921-38
0.566
MAR-TRE-04c86cea-28
0.560
MAR-TRE-3e4e6814-38
0.551
MAR-TRE-04c86cea-15
0.515
MAR-TRE-4b834d9a-80
0.474
MAR-TRE-b77b7921-33
0.464
MAR-TRE-d0525fbf-86
0.463
MAR-TRE-b77b7921-62
0.459
MAR-TRE-b77b7921-51
0.459
MAR-TRE-3e4e6814-42
0.454
MAR-TRE-f6f5f473-86
0.453
MAR-TRE-3e4e6814-99
0.451
MAR-TRE-74c6519b-83
0.449
MAR-TRE-4b834d9a-34
0.448
MAR-TRE-f6f5f473-11
0.446
MAR-TRE-04c86cea-50
0.441
MAR-TRE-04c86cea-26
0.434
MAR-TRE-d0525fbf-59
0.433
MAR-TRE-b77b7921-41
0.430
MAR-TRE-74c6519b-94
0.429
MAR-TRE-d0525fbf-46
0.424
MAR-TRE-b77b7921-49
0.423
MAR-TRE-d0525fbf-16
0.420
MAR-TRE-d0525fbf-67
0.420
MAR-TRE-b77b7921-32
0.416
MAR-TRE-7f7bb9f0-10
0.414
MAR-TRE-3e4e6814-30
0.410
MAR-TRE-b77b7921-76
0.408
MAR-TRE-d0525fbf-18
0.406
MAR-TRE-3e4e6814-29
0.398
MAR-TRE-b77b7921-21
0.387
MAR-TRE-b77b7921-24
0.387
MAR-TRE-b77b7921-50
0.387
MAR-TRE-b77b7921-86
0.386
MAR-TRE-04c86cea-59
0.385
MAR-TRE-f6f5f473-21
0.376
MAR-TRE-3e4e6814-44
0.375
MAR-TRE-3e4e6814-51
0.375
MAR-TRE-f6f5f473-3
0.375
MAR-TRE-d0525fbf-39
0.373
MAR-TRE-3e4e6814-77
0.371
MAR-TRE-74c6519b-37
0.366
MAR-TRE-04c86cea-43
0.366
MAR-TRE-3e4e6814-94
0.365
MAR-TRE-4b834d9a-19
0.363
MAR-TRE-74c6519b-31
0.360
MAR-TRE-d0525fbf-73
0.360
MAR-TRE-b77b7921-36
0.358
MAR-TRE-74c6519b-40
0.357
MAR-TRE-74c6519b-33
0.357
MAR-TRE-f6f5f473-38
0.355
MAR-TRE-74c6519b-28
0.355
MAR-TRE-b77b7921-45
0.354
MAR-TRE-9c797165-19
0.354
MAR-TRE-f6f5f473-10
0.352
MAR-TRE-f6f5f473-19
0.352
MAR-TRE-04c86cea-30
0.351
MAR-TRE-3e4e6814-32
0.351
MAR-TRE-04c86cea-92
0.351
MAR-TRE-74c6519b-21
0.351
MAR-TRE-3e4e6814-11
0.348
MAR-TRE-b77b7921-82
0.348
MAR-TRE-04c86cea-18
0.348
MAR-TRE-04c86cea-42
0.348
MAR-TRE-f6f5f473-41
0.347
MAR-TRE-4b834d9a-50
0.345
MAR-TRE-3e4e6814-48
0.345
MAR-TRE-b77b7921-13
0.345
MAR-TRE-74c6519b-15
0.345
MAR-TRE-b77b7921-60
0.345
MAR-TRE-74c6519b-38
0.343
MAR-TRE-f6f5f473-7
0.343
MAR-TRE-4b834d9a-81
0.343
MAR-TRE-b77b7921-31
0.342
MAR-TRE-04c86cea-67
0.342
JOH-UNI-e19b918c-9
0.341
MAR-TRE-04c86cea-8
0.339
MAR-TRE-04c86cea-2
0.339
MAR-TRE-4b834d9a-28
0.339
MAR-TRE-04c86cea-66
0.339
MAR-TRE-04c86cea-99
0.339
MAR-TRE-f6f5f473-48
0.339
MAR-TRE-f6f5f473-64
0.336