Molecular Properties | |
SMILES: | COc1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ncccc32)c1 |
MW: | 430.16 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 95.22 |
cLogP: | 2.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2264371353 |
MolPort: | MolPort-003-108-212 |
Filter82_pyridinium
MAR-TRE-b77b7921-60
0.761
MAR-TRE-3e4e6814-98
0.756
MAR-TRE-74c6519b-87
0.657
MAR-TRE-74c6519b-65
0.637
MAR-TRE-b77b7921-82
0.554
MAR-TRE-74c6519b-62
0.552
MAR-TRE-3e4e6814-44
0.552
MAR-TRE-04c86cea-30
0.515
MAR-TRE-d0525fbf-20
0.514
MAR-TRE-4b834d9a-81
0.510
MAR-TRE-4b834d9a-72
0.510
MAR-TRE-74c6519b-89
0.510
MAR-TRE-74c6519b-31
0.510
MAR-TRE-3e4e6814-83
0.505
MAR-TRE-04c86cea-42
0.505
MAR-TRE-d0525fbf-25
0.500
MAR-TRE-d0525fbf-58
0.500
MAR-TRE-b77b7921-57
0.500
MAR-TRE-d0525fbf-31
0.495
MAR-TRE-3e4e6814-29
0.495
MAR-TRE-3e4e6814-91
0.491
MAR-TRE-d0525fbf-24
0.491
MAR-TRE-04c86cea-67
0.486
MAR-TRE-3e4e6814-40
0.486
MAR-TRE-04c86cea-43
0.486
MAR-TRE-f6f5f473-3
0.481
MAR-TRE-d0525fbf-48
0.481
MAR-TRE-4b834d9a-98
0.480
MAR-TRE-b77b7921-58
0.480
MAR-TRE-3e4e6814-15
0.472
MAR-TRE-74c6519b-84
0.468
MAR-TRE-4b834d9a-41
0.467
MAR-TRE-7f7bb9f0-52
0.457
MAR-TRE-d0525fbf-15
0.455
MAR-TRE-7f7bb9f0-77
0.453
MAR-TRE-74c6519b-74
0.453
MAR-TRE-3e4e6814-48
0.453
MAR-TRE-f6f5f473-7
0.452
MAR-TRE-74c6519b-99
0.451
MAR-TRE-b77b7921-42
0.450
MAR-TRE-f6f5f473-18
0.450
MAR-TRE-74c6519b-28
0.449
MAR-TRE-d0525fbf-56
0.445
MAR-TRE-3e4e6814-32
0.444
MAR-TRE-b77b7921-25
0.436
MAR-TRE-d0525fbf-62
0.435
MAR-TRE-d0525fbf-76
0.435
MAR-TRE-74c6519b-43
0.434
MAR-TRE-7f7bb9f0-40
0.432
MAR-TRE-f6f5f473-5
0.432
MAR-TRE-74c6519b-88
0.430
MAR-TRE-f6f5f473-64
0.427
MAR-TRE-4b834d9a-52
0.426
MAR-TRE-d0525fbf-49
0.421
MAR-TRE-74c6519b-37
0.420
MAR-TRE-d0525fbf-42
0.416
MAR-TRE-7f7bb9f0-24
0.414
MAR-TRE-04c86cea-23
0.414
MAR-TRE-74c6519b-32
0.414
MAR-TRE-74c6519b-15
0.411
MAR-TRE-74c6519b-33
0.411
MAR-TRE-d0525fbf-27
0.411
MAR-TRE-74c6519b-80
0.410
MAR-TRE-b77b7921-46
0.409
MAR-TRE-d0525fbf-47
0.409
MAR-TRE-4b834d9a-19
0.408
MAR-TRE-4b834d9a-34
0.408
MAR-TRE-04c86cea-15
0.407
MAR-TRE-d0525fbf-17
0.405
MAR-TRE-04c86cea-2
0.405
MAR-TRE-04c86cea-92
0.405
MAR-TRE-f6f5f473-21
0.405
MAR-TRE-74c6519b-21
0.404
MAR-TRE-b77b7921-21
0.404
MAR-TRE-04c86cea-99
0.404
MAR-TRE-4b834d9a-50
0.400
MAR-TRE-b77b7921-1
0.400
MAR-TRE-f6f5f473-60
0.400
MAR-TRE-74c6519b-34
0.393
MAR-TRE-f6f5f473-57
0.393
MAR-TRE-b77b7921-24
0.391
MAR-TRE-04c86cea-22
0.389
MAR-TRE-04c86cea-18
0.389
MAR-TRE-f6f5f473-48
0.388
MAR-TRE-3e4e6814-46
0.388
MAR-TRE-04c86cea-24
0.388
MAR-TRE-b77b7921-31
0.383
MAR-TRE-4b834d9a-28
0.379
MAR-TRE-b77b7921-13
0.375
MAR-TRE-3e4e6814-30
0.375
MAR-TRE-d0525fbf-29
0.374
MAR-TRE-04c86cea-8
0.368
MAR-TRE-3e4e6814-99
0.366
MAR-TRE-d0525fbf-1
0.365
MAR-TRE-3e4e6814-11
0.365
MAR-TRE-7f7bb9f0-10
0.364
MAR-TRE-74c6519b-20
0.364
MAR-TRE-4b834d9a-3
0.360
MAR-TRE-9c797165-19
0.359
MAR-TRE-04c86cea-58
0.359