Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)NCc1ccc(F)cc1 |
MW: | 419.14 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 98.88 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6510532849 |
MolPort: | MolPort-003-122-265 |
Filter82_pyridinium
MAR-TRE-b77b7921-45
0.812
MAR-TRE-b77b7921-46
0.807
MAR-TRE-04c86cea-2
0.776
MAR-TRE-d0525fbf-1
0.767
MAR-TRE-b77b7921-6
0.703
MAR-TRE-74c6519b-1
0.700
MAR-TRE-74c6519b-20
0.677
MAR-TRE-b77b7921-49
0.655
MAR-TRE-b77b7921-25
0.645
MAR-TRE-d0525fbf-73
0.631
MAR-TRE-d0525fbf-60
0.628
MAR-TRE-3e4e6814-91
0.625
MAR-TRE-f6f5f473-21
0.624
MAR-TRE-4b834d9a-52
0.620
MAR-TRE-b77b7921-13
0.620
MAR-TRE-3e4e6814-11
0.617
MAR-TRE-04c86cea-8
0.606
MAR-TRE-3e4e6814-83
0.576
MAR-TRE-b77b7921-1
0.568
MAR-TRE-04c86cea-23
0.567
MAR-TRE-04c86cea-66
0.566
MAR-TRE-04c86cea-3
0.561
MAR-TRE-74c6519b-99
0.559
MAR-TRE-74c6519b-80
0.553
MAR-TRE-04c86cea-59
0.551
MAR-TRE-d0525fbf-32
0.549
MAR-TRE-d0525fbf-17
0.541
MAR-TRE-7f7bb9f0-77
0.536
MAR-TRE-4b834d9a-50
0.536
MAR-TRE-4b834d9a-72
0.536
MAR-TRE-04c86cea-50
0.534
MAR-TRE-b77b7921-41
0.532
MAR-TRE-04c86cea-92
0.525
MAR-TRE-d0525fbf-31
0.520
MAR-TRE-d0525fbf-29
0.515
MAR-TRE-74c6519b-40
0.515
MAR-TRE-74c6519b-87
0.514
MAR-TRE-4b834d9a-60
0.505
MAR-TRE-f6f5f473-7
0.505
MAR-TRE-7f7bb9f0-24
0.490
MAR-TRE-4b834d9a-41
0.490
MAR-TRE-04c86cea-52
0.490
MAR-TRE-d0525fbf-16
0.490
MAR-TRE-b77b7921-33
0.490
MAR-TRE-04c86cea-26
0.490
MAR-TRE-4b834d9a-19
0.489
MAR-TRE-b77b7921-32
0.485
MAR-TRE-d0525fbf-15
0.477
MAR-TRE-74c6519b-21
0.476
MAR-TRE-d0525fbf-48
0.476
MAR-TRE-d0525fbf-61
0.476
MAR-TRE-f6f5f473-17
0.475
MAR-TRE-d0525fbf-76
0.471
MAR-TRE-d0525fbf-47
0.471
MAR-TRE-f6f5f473-11
0.470
MAR-TRE-d0525fbf-37
0.466
MAR-TRE-7f7bb9f0-52
0.465
MAR-TRE-4b834d9a-28
0.462
MAR-TRE-74c6519b-74
0.461
MAR-TRE-4b834d9a-81
0.460
MAR-TRE-b77b7921-28
0.458
MAR-TRE-f6f5f473-18
0.458
MAR-TRE-b77b7921-42
0.458
MAR-TRE-74c6519b-4
0.457
MAR-TRE-d0525fbf-57
0.454
MAR-TRE-d0525fbf-25
0.453
MAR-TRE-7f7bb9f0-40
0.453
MAR-TRE-9c797165-19
0.452
MAR-TRE-b77b7921-82
0.448
MAR-TRE-74c6519b-32
0.448
MAR-TRE-74c6519b-31
0.448
MAR-TRE-4b834d9a-35
0.447
MAR-TRE-3e4e6814-48
0.447
MAR-TRE-74c6519b-30
0.447
MAR-TRE-04c86cea-63
0.447
MAR-TRE-3e4e6814-73
0.446
MAR-TRE-04c86cea-73
0.442
MAR-TRE-4b834d9a-18
0.442
MAR-TRE-74c6519b-28
0.442
MAR-TRE-04c86cea-29
0.441
MAR-TRE-67513f76-11
0.441
MAR-TRE-b77b7921-60
0.440
MAR-TRE-04c86cea-67
0.439
MAR-TRE-b77b7921-57
0.439
MAR-TRE-04c86cea-30
0.438
MAR-TRE-d0525fbf-58
0.438
MAR-TRE-3e4e6814-32
0.438
MAR-TRE-4b834d9a-14
0.437
MAR-TRE-4b834d9a-11
0.434
MAR-TRE-3e4e6814-29
0.434
MAR-TRE-b77b7921-76
0.433
MAR-TRE-d0525fbf-67
0.430
MAR-TRE-d0525fbf-27
0.430
MAR-TRE-74c6519b-33
0.430
MAR-TRE-74c6519b-15
0.430
MAR-TRE-4b834d9a-69
0.429
MAR-TRE-d0525fbf-20
0.427
MAR-TRE-d0525fbf-56
0.426
MAR-TRE-74c6519b-37
0.426
MAR-TRE-74c6519b-62
0.423