Molecular Properties | |
SMILES: | O=c1c2ncccc2n(Cc2cccc3ccccc23)c(=O)n1Cc1ccccn1 |
MW: | 394.14 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 69.78 |
cLogP: | 3.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5742189857 |
MolPort: | MolPort-003-122-193 |
Filter82_pyridinium
MAR-TRE-b77b7921-50
0.720
MAR-TRE-b77b7921-86
0.634
MAR-TRE-f6f5f473-32
0.611
MAR-TRE-3e4e6814-77
0.586
MAR-TRE-b77b7921-76
0.571
MAR-TRE-f6f5f473-86
0.571
MAR-TRE-f6f5f473-49
0.563
MAR-TRE-b77b7921-51
0.557
MAR-TRE-b77b7921-62
0.557
MAR-TRE-d0525fbf-18
0.545
MAR-TRE-74c6519b-83
0.545
MAR-TRE-74c6519b-38
0.544
MAR-TRE-d0525fbf-34
0.542
MAR-TRE-b77b7921-1
0.495
MAR-TRE-b77b7921-58
0.495
MAR-TRE-74c6519b-4
0.490
MAR-TRE-f6f5f473-19
0.489
MAR-TRE-04c86cea-22
0.480
MAR-TRE-74c6519b-1
0.475
MAR-TRE-04c86cea-3
0.475
MAR-TRE-04c86cea-10
0.474
MAR-TRE-04c86cea-43
0.470
MAR-TRE-3e4e6814-46
0.461
MAR-TRE-f6f5f473-38
0.459
MAR-TRE-d0525fbf-62
0.459
MAR-TRE-d0525fbf-76
0.459
MAR-TRE-74c6519b-94
0.457
MAR-TRE-3e4e6814-15
0.455
MAR-TRE-3e4e6814-40
0.455
MAR-TRE-04c86cea-42
0.447
MAR-TRE-04c86cea-99
0.437
MAR-TRE-04c86cea-24
0.433
MAR-TRE-04c86cea-26
0.432
MAR-TRE-d0525fbf-49
0.429
MAR-TRE-74c6519b-43
0.429
MAR-TRE-74c6519b-34
0.425
MAR-TRE-3e4e6814-99
0.416
MAR-TRE-b77b7921-32
0.412
MAR-TRE-b77b7921-41
0.412
MAR-TRE-f6f5f473-18
0.393
MAR-TRE-04c86cea-50
0.391
MAR-TRE-04c86cea-98
0.390
MAR-TRE-4b834d9a-80
0.381
MAR-TRE-b77b7921-64
0.377
MAR-TRE-4b834d9a-44
0.375
MAR-TRE-b77b7921-37
0.374
MAR-TRE-f6f5f473-11
0.373
MAR-TRE-d0525fbf-86
0.371
MAR-TRE-d0525fbf-59
0.371
MAR-TRE-4b834d9a-34
0.371
MAR-TRE-04c86cea-18
0.368
MAR-TRE-7f7bb9f0-10
0.367
MAR-TRE-b77b7921-49
0.361
MAR-TRE-b77b7921-33
0.360
MAR-TRE-04c86cea-61
0.359
MAR-TRE-04c86cea-37
0.352
MAR-TRE-d0525fbf-46
0.350
MAR-TRE-3e4e6814-42
0.350
MAR-TRE-b77b7921-31
0.349
MAR-TRE-9c797165-19
0.347
MAR-TRE-d0525fbf-16
0.347
MAR-TRE-d0525fbf-67
0.347
MAR-TRE-74c6519b-32
0.343
MAR-TRE-04c86cea-23
0.343
MAR-TRE-f6f5f473-13
0.342
MAR-TRE-b77b7921-28
0.342
MAR-TRE-f6f5f473-60
0.342
MAR-TRE-4b834d9a-52
0.340
MAR-TRE-b77b7921-14
0.340
MAR-TRE-3e4e6814-30
0.340
MAR-TRE-b77b7921-12
0.339
MAR-TRE-b77b7921-79
0.339
MAR-TRE-d0525fbf-29
0.339
MAR-TRE-4b834d9a-81
0.337
MAR-TRE-04c86cea-29
0.333
MAR-TRE-04c86cea-92
0.333
MAR-TRE-3e4e6814-44
0.330
MAR-TRE-4b834d9a-19
0.330
MAR-TRE-b77b7921-36
0.327
MAR-TRE-d0525fbf-73
0.327
MAR-TRE-04c86cea-15
0.324
MAR-TRE-b77b7921-46
0.324
MAR-TRE-74c6519b-22
0.322
MAR-TRE-04c86cea-66
0.321
MAR-TRE-f6f5f473-3
0.321
MAR-TRE-b77b7921-6
0.321
MAR-TRE-04c86cea-2
0.321
MAR-TRE-f6f5f473-21
0.321
MAR-TRE-74c6519b-20
0.319
MAR-TRE-3e4e6814-29
0.318
MAR-TRE-f6f5f473-15
0.318
MAR-TRE-d0525fbf-1
0.318
MAR-TRE-d0525fbf-61
0.318
MAR-TRE-b77b7921-82
0.318
MAR-TRE-3e4e6814-11
0.318
MAR-TRE-d0525fbf-27
0.315
MAR-TRE-4b834d9a-50
0.315
MAR-TRE-3e4e6814-48
0.315
MAR-TRE-f6f5f473-5
0.312
MAR-TRE-d0525fbf-47
0.312