Molecular Properties | |
SMILES: | NC(=O)Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21 |
MW: | 311.1 |
Fraction sp3: | 0.13 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 112.87 |
cLogP: | -0.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6357590281 |
MolPort: | MolPort-003-122-320 |
Filter82_pyridinium
MAR-TRE-d0525fbf-73
0.710
MAR-TRE-b77b7921-36
0.680
MAR-TRE-4b834d9a-81
0.671
MAR-TRE-4b834d9a-52
0.667
MAR-TRE-d0525fbf-34
0.657
MAR-TRE-7f7bb9f0-52
0.654
MAR-TRE-3e4e6814-99
0.652
MAR-TRE-3e4e6814-48
0.646
MAR-TRE-74c6519b-74
0.646
MAR-TRE-7f7bb9f0-77
0.646
MAR-TRE-74c6519b-31
0.642
MAR-TRE-74c6519b-28
0.637
MAR-TRE-d0525fbf-47
0.637
MAR-TRE-d0525fbf-58
0.630
MAR-TRE-3e4e6814-32
0.630
MAR-TRE-3e4e6814-11
0.622
MAR-TRE-3e4e6814-29
0.622
MAR-TRE-d0525fbf-1
0.622
MAR-TRE-7f7bb9f0-24
0.622
MAR-TRE-74c6519b-32
0.622
MAR-TRE-d0525fbf-48
0.622
MAR-TRE-d0525fbf-29
0.614
MAR-TRE-74c6519b-15
0.614
MAR-TRE-d0525fbf-27
0.614
MAR-TRE-74c6519b-33
0.614
MAR-TRE-7f7bb9f0-40
0.607
MAR-TRE-d0525fbf-56
0.607
MAR-TRE-74c6519b-37
0.607
MAR-TRE-d0525fbf-42
0.600
MAR-TRE-d0525fbf-19
0.593
MAR-TRE-d0525fbf-86
0.592
MAR-TRE-4b834d9a-80
0.584
MAR-TRE-74c6519b-94
0.584
MAR-TRE-7f7bb9f0-10
0.584
MAR-TRE-4b834d9a-19
0.571
MAR-TRE-b77b7921-50
0.536
MAR-TRE-4b834d9a-98
0.512
MAR-TRE-f6f5f473-7
0.512
MAR-TRE-4b834d9a-50
0.512
MAR-TRE-4b834d9a-72
0.512
MAR-TRE-d0525fbf-17
0.500
MAR-TRE-04c86cea-30
0.500
MAR-TRE-b77b7921-82
0.494
MAR-TRE-4b834d9a-41
0.494
MAR-TRE-3e4e6814-83
0.489
MAR-TRE-74c6519b-40
0.489
MAR-TRE-d0525fbf-60
0.489
MAR-TRE-b77b7921-46
0.489
MAR-TRE-b77b7921-60
0.484
MAR-TRE-d0525fbf-20
0.484
MAR-TRE-b77b7921-57
0.484
MAR-TRE-04c86cea-67
0.484
MAR-TRE-d0525fbf-25
0.484
MAR-TRE-04c86cea-2
0.483
MAR-TRE-04c86cea-92
0.483
MAR-TRE-f6f5f473-21
0.483
MAR-TRE-74c6519b-62
0.479
MAR-TRE-d0525fbf-31
0.478
MAR-TRE-74c6519b-21
0.478
MAR-TRE-b77b7921-13
0.477
MAR-TRE-74c6519b-87
0.474
MAR-TRE-74c6519b-99
0.474
MAR-TRE-b77b7921-42
0.473
MAR-TRE-3e4e6814-91
0.473
MAR-TRE-f6f5f473-18
0.473
MAR-TRE-04c86cea-42
0.473
MAR-TRE-f6f5f473-19
0.471
MAR-TRE-74c6519b-80
0.469
MAR-TRE-04c86cea-50
0.468
MAR-TRE-04c86cea-8
0.467
MAR-TRE-d0525fbf-15
0.463
MAR-TRE-4b834d9a-28
0.462
MAR-TRE-04c86cea-59
0.462
MAR-TRE-b77b7921-1
0.461
MAR-TRE-b77b7921-58
0.460
MAR-TRE-74c6519b-20
0.457
MAR-TRE-b77b7921-25
0.457
MAR-TRE-d0525fbf-62
0.456
MAR-TRE-3e4e6814-40
0.452
MAR-TRE-74c6519b-2
0.452
MAR-TRE-b77b7921-45
0.452
MAR-TRE-d0525fbf-32
0.448
MAR-TRE-b77b7921-49
0.446
MAR-TRE-04c86cea-22
0.446
MAR-TRE-04c86cea-23
0.446
MAR-TRE-3e4e6814-46
0.442
MAR-TRE-04c86cea-24
0.442
MAR-TRE-d0525fbf-59
0.440
MAR-TRE-4b834d9a-34
0.440
MAR-TRE-d0525fbf-76
0.440
MAR-TRE-04c86cea-29
0.438
MAR-TRE-d0525fbf-49
0.438
MAR-TRE-74c6519b-43
0.438
MAR-TRE-3e4e6814-15
0.436
MAR-TRE-04c86cea-43
0.436
MAR-TRE-74c6519b-34
0.433
MAR-TRE-f6f5f473-57
0.433
MAR-TRE-d0525fbf-40
0.432
MAR-TRE-b77b7921-56
0.432
MAR-TRE-74c6519b-84
0.432