Molecular Properties | |
SMILES: | CC(C)NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21 |
MW: | 366.17 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 85.99 |
cLogP: | 1.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9233273401 |
MolPort: | MolPort-003-592-222 |
Filter82_pyridinium
MAR-TRE-3e4e6814-98
0.663
MAR-TRE-b77b7921-65
0.637
MAR-TRE-74c6519b-89
0.560
MAR-TRE-3e4e6814-44
0.540
MAR-TRE-f6f5f473-7
0.528
MAR-TRE-d0525fbf-40
0.526
MAR-TRE-d0525fbf-24
0.505
MAR-TRE-4b834d9a-98
0.495
MAR-TRE-b77b7921-25
0.490
MAR-TRE-04c86cea-92
0.484
MAR-TRE-04c86cea-30
0.484
MAR-TRE-4b834d9a-72
0.479
MAR-TRE-f6f5f473-18
0.475
MAR-TRE-f6f5f473-21
0.469
MAR-TRE-4b834d9a-41
0.464
MAR-TRE-4b834d9a-50
0.463
MAR-TRE-4b834d9a-52
0.463
MAR-TRE-b77b7921-1
0.463
MAR-TRE-4b834d9a-81
0.462
MAR-TRE-b77b7921-46
0.458
MAR-TRE-b77b7921-60
0.455
MAR-TRE-04c86cea-2
0.454
MAR-TRE-4b834d9a-28
0.450
MAR-TRE-b77b7921-82
0.449
MAR-TRE-04c86cea-23
0.449
MAR-TRE-3e4e6814-69
0.448
MAR-TRE-b77b7921-58
0.447
MAR-TRE-4b834d9a-19
0.444
MAR-TRE-b77b7921-13
0.433
MAR-TRE-d0525fbf-47
0.429
MAR-TRE-3e4e6814-32
0.424
MAR-TRE-04c86cea-8
0.424
MAR-TRE-74c6519b-31
0.420
MAR-TRE-74c6519b-32
0.420
MAR-TRE-3e4e6814-48
0.418
MAR-TRE-74c6519b-74
0.418
MAR-TRE-04c86cea-42
0.417
MAR-TRE-74c6519b-20
0.417
MAR-TRE-b77b7921-42
0.417
MAR-TRE-d0525fbf-27
0.416
MAR-TRE-d0525fbf-29
0.416
MAR-TRE-74c6519b-15
0.416
MAR-TRE-04c86cea-10
0.414
MAR-TRE-b77b7921-57
0.412
MAR-TRE-04c86cea-15
0.412
MAR-TRE-d0525fbf-58
0.410
MAR-TRE-7f7bb9f0-52
0.408
MAR-TRE-d0525fbf-42
0.408
MAR-TRE-b77b7921-21
0.408
MAR-TRE-3e4e6814-29
0.406
MAR-TRE-04c86cea-22
0.406
MAR-TRE-3e4e6814-30
0.404
MAR-TRE-7f7bb9f0-77
0.404
MAR-TRE-3e4e6814-83
0.404
MAR-TRE-3e4e6814-46
0.404
MAR-TRE-74c6519b-4
0.402
MAR-TRE-74c6519b-33
0.402
MAR-TRE-04c86cea-3
0.402
MAR-TRE-74c6519b-40
0.402
MAR-TRE-74c6519b-80
0.402
MAR-TRE-d0525fbf-76
0.400
MAR-TRE-d0525fbf-62
0.400
MAR-TRE-74c6519b-28
0.400
MAR-TRE-d0525fbf-25
0.398
MAR-TRE-b77b7921-45
0.398
MAR-TRE-04c86cea-67
0.398
MAR-TRE-f6f5f473-5
0.398
MAR-TRE-3e4e6814-40
0.398
MAR-TRE-74c6519b-37
0.398
MAR-TRE-b77b7921-31
0.398
MAR-TRE-04c86cea-43
0.398
MAR-TRE-3e4e6814-99
0.398
MAR-TRE-74c6519b-34
0.396
MAR-TRE-74c6519b-62
0.396
MAR-TRE-d0525fbf-17
0.396
MAR-TRE-d0525fbf-73
0.396
MAR-TRE-74c6519b-21
0.394
MAR-TRE-d0525fbf-31
0.394
MAR-TRE-04c86cea-99
0.394
MAR-TRE-b77b7921-24
0.394
MAR-TRE-d0525fbf-48
0.392
MAR-TRE-3e4e6814-11
0.392
MAR-TRE-04c86cea-18
0.392
MAR-TRE-f6f5f473-15
0.392
MAR-TRE-7f7bb9f0-24
0.392
MAR-TRE-f6f5f473-60
0.390
MAR-TRE-b77b7921-28
0.390
MAR-TRE-d0525fbf-13
0.390
MAR-TRE-3e4e6814-91
0.390
MAR-TRE-04c86cea-24
0.390
MAR-TRE-9c797165-19
0.389
MAR-TRE-d0525fbf-34
0.389
MAR-TRE-04c86cea-50
0.389
MAR-TRE-74c6519b-1
0.388
MAR-TRE-d0525fbf-60
0.388
MAR-TRE-d0525fbf-57
0.387
MAR-TRE-74c6519b-2
0.385
MAR-TRE-d0525fbf-56
0.385
MAR-TRE-3e4e6814-15
0.385
MAR-TRE-d0525fbf-15
0.383