Molecular Properties | |
SMILES: | NC(=O)Cn1c(=O)n(Cc2ccccn2)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-2238388597 |
MolPort: | MolPort-003-122-135 |
Filter82_pyridinium
MAR-TRE-b77b7921-58
0.671
MAR-TRE-b77b7921-1
0.667
MAR-TRE-f6f5f473-19
0.662
MAR-TRE-9c797165-19
0.657
MAR-TRE-d0525fbf-76
0.637
MAR-TRE-d0525fbf-62
0.637
MAR-TRE-04c86cea-10
0.637
MAR-TRE-f6f5f473-38
0.637
MAR-TRE-04c86cea-22
0.622
MAR-TRE-d0525fbf-73
0.616
MAR-TRE-74c6519b-1
0.614
MAR-TRE-74c6519b-4
0.614
MAR-TRE-04c86cea-3
0.614
MAR-TRE-04c86cea-42
0.612
MAR-TRE-3e4e6814-40
0.607
MAR-TRE-3e4e6814-15
0.607
MAR-TRE-04c86cea-43
0.607
MAR-TRE-b77b7921-76
0.600
MAR-TRE-f6f5f473-86
0.600
MAR-TRE-04c86cea-99
0.600
MAR-TRE-3e4e6814-46
0.593
MAR-TRE-04c86cea-24
0.593
MAR-TRE-d0525fbf-49
0.586
MAR-TRE-74c6519b-43
0.586
MAR-TRE-b77b7921-86
0.584
MAR-TRE-74c6519b-34
0.580
MAR-TRE-d0525fbf-18
0.570
MAR-TRE-74c6519b-83
0.570
MAR-TRE-f6f5f473-49
0.570
MAR-TRE-74c6519b-38
0.568
MAR-TRE-b77b7921-62
0.562
MAR-TRE-b77b7921-51
0.562
MAR-TRE-3e4e6814-77
0.556
MAR-TRE-f6f5f473-10
0.542
MAR-TRE-d0525fbf-19
0.536
MAR-TRE-4b834d9a-98
0.494
MAR-TRE-4b834d9a-52
0.461
MAR-TRE-4b834d9a-81
0.460
MAR-TRE-4b834d9a-19
0.458
MAR-TRE-b77b7921-36
0.448
MAR-TRE-04c86cea-23
0.446
MAR-TRE-74c6519b-32
0.446
MAR-TRE-3e4e6814-48
0.444
MAR-TRE-4b834d9a-50
0.444
MAR-TRE-f6f5f473-7
0.443
MAR-TRE-b77b7921-46
0.440
MAR-TRE-d0525fbf-47
0.440
MAR-TRE-04c86cea-29
0.438
MAR-TRE-3e4e6814-32
0.435
MAR-TRE-7f7bb9f0-52
0.433
MAR-TRE-74c6519b-31
0.430
MAR-TRE-d0525fbf-61
0.430
MAR-TRE-74c6519b-74
0.429
MAR-TRE-7f7bb9f0-77
0.429
MAR-TRE-4b834d9a-72
0.429
MAR-TRE-f6f5f473-60
0.427
MAR-TRE-d0525fbf-29
0.426
MAR-TRE-3e4e6814-99
0.425
MAR-TRE-74c6519b-28
0.424
MAR-TRE-f6f5f473-5
0.421
MAR-TRE-04c86cea-2
0.419
MAR-TRE-04c86cea-30
0.419
MAR-TRE-04c86cea-92
0.419
MAR-TRE-d0525fbf-58
0.419
MAR-TRE-f6f5f473-21
0.419
MAR-TRE-4b834d9a-44
0.416
MAR-TRE-f6f5f473-64
0.415
MAR-TRE-b77b7921-82
0.415
MAR-TRE-d0525fbf-1
0.415
MAR-TRE-d0525fbf-48
0.415
MAR-TRE-4b834d9a-41
0.415
MAR-TRE-3e4e6814-11
0.415
MAR-TRE-f6f5f473-15
0.415
MAR-TRE-7f7bb9f0-24
0.415
MAR-TRE-3e4e6814-29
0.415
MAR-TRE-b77b7921-13
0.413
MAR-TRE-b77b7921-28
0.412
MAR-TRE-d0525fbf-60
0.411
MAR-TRE-d0525fbf-27
0.411
MAR-TRE-74c6519b-40
0.411
MAR-TRE-74c6519b-15
0.411
MAR-TRE-74c6519b-33
0.411
MAR-TRE-b77b7921-25
0.411
MAR-TRE-74c6519b-37
0.406
MAR-TRE-d0525fbf-56
0.406
MAR-TRE-7f7bb9f0-40
0.406
MAR-TRE-04c86cea-67
0.406
MAR-TRE-d0525fbf-17
0.404
MAR-TRE-04c86cea-8
0.404
MAR-TRE-74c6519b-94
0.402
MAR-TRE-4b834d9a-28
0.402
MAR-TRE-74c6519b-84
0.402
MAR-TRE-f6f5f473-3
0.402
MAR-TRE-d0525fbf-42
0.402
MAR-TRE-b77b7921-56
0.402
MAR-TRE-b77b7921-6
0.402
MAR-TRE-04c86cea-66
0.402
MAR-TRE-04c86cea-59
0.400
MAR-TRE-f6f5f473-18
0.398
MAR-TRE-74c6519b-20
0.398