Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)Nc1cccc(F)c1 |
MW: | 410.08 |
Fraction sp3: | 0.1 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 2.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5287717068 |
MolPort: | MolPort-005-279-347 |
Filter82_pyridinium
MAR-TRE-f6f5f473-3
0.773
MAR-TRE-d0525fbf-48
0.739
MAR-TRE-3e4e6814-15
0.722
MAR-TRE-3e4e6814-91
0.707
MAR-TRE-f6f5f473-64
0.700
MAR-TRE-f6f5f473-5
0.649
MAR-TRE-b77b7921-6
0.625
MAR-TRE-f6f5f473-57
0.622
MAR-TRE-f6f5f473-60
0.619
MAR-TRE-04c86cea-29
0.609
MAR-TRE-d0525fbf-61
0.594
MAR-TRE-04c86cea-23
0.594
MAR-TRE-f6f5f473-15
0.594
MAR-TRE-04c86cea-66
0.576
MAR-TRE-b77b7921-28
0.570
MAR-TRE-74c6519b-87
0.569
MAR-TRE-d0525fbf-58
0.567
MAR-TRE-7f7bb9f0-77
0.562
MAR-TRE-3e4e6814-29
0.561
MAR-TRE-74c6519b-31
0.561
MAR-TRE-3e4e6814-40
0.550
MAR-TRE-04c86cea-43
0.550
MAR-TRE-d0525fbf-76
0.541
MAR-TRE-04c86cea-42
0.539
MAR-TRE-3e4e6814-83
0.539
MAR-TRE-7f7bb9f0-52
0.536
MAR-TRE-7f7bb9f0-40
0.535
MAR-TRE-b77b7921-60
0.534
MAR-TRE-4b834d9a-81
0.531
MAR-TRE-4b834d9a-72
0.531
MAR-TRE-74c6519b-62
0.529
MAR-TRE-d0525fbf-49
0.519
MAR-TRE-b77b7921-58
0.515
MAR-TRE-3e4e6814-48
0.515
MAR-TRE-74c6519b-74
0.515
MAR-TRE-7f7bb9f0-24
0.515
MAR-TRE-d0525fbf-31
0.515
MAR-TRE-74c6519b-28
0.510
MAR-TRE-d0525fbf-62
0.510
MAR-TRE-d0525fbf-56
0.505
MAR-TRE-d0525fbf-20
0.491
MAR-TRE-74c6519b-43
0.491
MAR-TRE-d0525fbf-25
0.490
MAR-TRE-d0525fbf-17
0.490
MAR-TRE-4b834d9a-41
0.485
MAR-TRE-b77b7921-82
0.485
MAR-TRE-74c6519b-99
0.481
MAR-TRE-d0525fbf-47
0.480
MAR-TRE-74c6519b-37
0.476
MAR-TRE-04c86cea-67
0.476
MAR-TRE-d0525fbf-15
0.472
MAR-TRE-74c6519b-21
0.472
MAR-TRE-4b834d9a-19
0.469
MAR-TRE-b77b7921-65
0.468
MAR-TRE-b77b7921-57
0.462
MAR-TRE-3e4e6814-32
0.462
MAR-TRE-04c86cea-30
0.462
MAR-TRE-04c86cea-99
0.458
MAR-TRE-d0525fbf-1
0.457
MAR-TRE-d0525fbf-27
0.453
MAR-TRE-74c6519b-15
0.453
MAR-TRE-74c6519b-33
0.453
MAR-TRE-d0525fbf-42
0.444
MAR-TRE-74c6519b-32
0.443
MAR-TRE-b77b7921-42
0.440
MAR-TRE-9c797165-19
0.432
MAR-TRE-04c86cea-22
0.430
MAR-TRE-4b834d9a-52
0.429
MAR-TRE-3e4e6814-46
0.427
MAR-TRE-04c86cea-24
0.427
MAR-TRE-d0525fbf-60
0.426
MAR-TRE-74c6519b-1
0.426
MAR-TRE-74c6519b-2
0.422
MAR-TRE-04c86cea-2
0.421
MAR-TRE-74c6519b-34
0.420
MAR-TRE-3e4e6814-11
0.417
MAR-TRE-b77b7921-13
0.415
MAR-TRE-f6f5f473-18
0.414
MAR-TRE-f6f5f473-7
0.413
MAR-TRE-d0525fbf-29
0.413
MAR-TRE-3e4e6814-98
0.413
MAR-TRE-74c6519b-80
0.412
MAR-TRE-b77b7921-51
0.408
MAR-TRE-d0525fbf-32
0.407
MAR-TRE-d0525fbf-40
0.405
MAR-TRE-74c6519b-64
0.405
MAR-TRE-b77b7921-36
0.404
MAR-TRE-d0525fbf-34
0.402
MAR-TRE-4b834d9a-50
0.402
MAR-TRE-b77b7921-1
0.402
MAR-TRE-b77b7921-25
0.400
MAR-TRE-b77b7921-46
0.398
MAR-TRE-04c86cea-10
0.398
MAR-TRE-04c86cea-8
0.394
MAR-TRE-d0525fbf-73
0.394
MAR-TRE-d0525fbf-13
0.389
MAR-TRE-74c6519b-4
0.387
MAR-TRE-74c6519b-40
0.387
MAR-TRE-04c86cea-3
0.387
MAR-TRE-d0525fbf-57
0.386