Molecular Properties | |
SMILES: | O=C(Cn1c(=O)c2nncn2c2ncccc21)NCc1cccs1 |
MW: | 340.07 |
Fraction sp3: | 0.13 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 0.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3532520190 |
MolPort: | MolPort-010-907-038 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-74c6519b-27
0.679
MAR-TRE-b77b7921-29
0.678
MAR-TRE-4b834d9a-13
0.655
MAR-TRE-d0525fbf-11
0.637
MAR-TRE-7f7bb9f0-9
0.637
MAR-TRE-04c86cea-4
0.633
MAR-TRE-4b834d9a-7
0.607
MAR-TRE-4b834d9a-37
0.600
MAR-TRE-4b834d9a-40
0.600
MAR-TRE-d0525fbf-41
0.581
MAR-TRE-4b834d9a-47
0.576
MAR-TRE-3e4e6814-76
0.554
MAR-TRE-b77b7921-26
0.531
MAR-TRE-74c6519b-10
0.402
MAR-TRE-4b834d9a-14
0.388
MAR-TRE-4b834d9a-55
0.388
MAR-TRE-4b834d9a-95
0.388
MAR-LAB-ca4662a6-8
0.387
MAR-TRE-74c6519b-9
0.387
MAR-TRE-3e4e6814-12
0.386
MAR-TRE-74c6519b-78
0.384
MAR-TRE-d0525fbf-28
0.382
MAR-TRE-7f7bb9f0-17
0.381
MAR-TRE-7f7bb9f0-85
0.381
MAR-TRE-74c6519b-6
0.379
MAR-TRE-9c797165-45
0.378
MAR-TRE-67513f76-2
0.378
MAR-TRE-4b834d9a-15
0.377
MAR-TRE-74c6519b-8
0.377
MAR-TRE-d0525fbf-7
0.376
MAR-TRE-7f7bb9f0-5
0.376
MAR-TRE-b77b7921-4
0.375
MAR-TRE-4b834d9a-11
0.374
MAR-TRE-4b834d9a-21
0.374
MAR-TRE-b77b7921-23
0.374
MAR-TRE-67513f76-27
0.374
MAR-TRE-4b834d9a-6
0.371
MAR-TRE-3e4e6814-7
0.371
MAR-TRE-3e4e6814-5
0.371
MAR-TRE-4b834d9a-99
0.370
MAR-TRE-7f7bb9f0-7
0.368
MAR-TRE-4b834d9a-18
0.368
MAR-TRE-b77b7921-2
0.368
MAR-TRE-b77b7921-54
0.367
MAR-TRE-4b834d9a-9
0.367
MAR-TRE-d0525fbf-4
0.367
MAR-TRE-4b834d9a-33
0.366
MAR-TRE-4b834d9a-8
0.366
MAR-TRE-b77b7921-11
0.366
MAR-TRE-3e4e6814-14
0.365
MAR-TRE-4b834d9a-12
0.364
MAR-TRE-74c6519b-5
0.364
MAR-TRE-b77b7921-3
0.364
MAR-TRE-04c86cea-1
0.364
MAR-TRE-74c6519b-73
0.364
MAR-TRE-74c6519b-7
0.364
MAR-TRE-4b834d9a-2
0.363
MAR-TRE-74c6519b-25
0.363
MAR-TRE-d0525fbf-43
0.363
MAR-TRE-4b834d9a-4
0.361
MAR-TRE-4b834d9a-22
0.361
MAR-TRE-d0525fbf-5
0.360
MAR-TRE-4b834d9a-20
0.360
MAR-TRE-b77b7921-28
0.360
MAR-TRE-4b834d9a-39
0.360
MAR-TRE-4b834d9a-25
0.359
MAR-TRE-d0525fbf-38
0.358
MAR-TRE-4b834d9a-93
0.358
MAR-TRE-4b834d9a-84
0.356
MAR-TRE-4b834d9a-5
0.355
MAR-TRE-4b834d9a-10
0.355
MAR-TRE-f6f5f473-66
0.353
MAR-TRE-b77b7921-6
0.351
MAR-TRE-9c797165-74
0.350
MAR-TRE-d0525fbf-23
0.349
MAR-TRE-04c86cea-23
0.349
MAR-TRE-d0525fbf-61
0.349
MAR-TRE-9c797165-25
0.346
MAR-TRE-4b834d9a-3
0.343
MAR-TRE-04c86cea-73
0.343
MAR-TRE-b77b7921-16
0.340
MAR-TRE-b77b7921-7
0.339
MAR-TRE-d0525fbf-22
0.339
MAR-TRE-04c86cea-66
0.339
MAR-TRE-7f7bb9f0-39
0.337
MAR-TRE-67513f76-18
0.337
MAR-TRE-04c86cea-6
0.336
MAR-TRE-d0525fbf-39
0.336
MAR-TRE-b77b7921-8
0.336
MAR-TRE-b77b7921-44
0.331
MAR-TRE-7f7bb9f0-34
0.330
MAR-TRE-04c86cea-74
0.330
MAR-TRE-4b834d9a-76
0.330
MAR-TRE-04c86cea-69
0.330
MAR-TRE-9c797165-89
0.330
MAR-TRE-9c797165-15
0.330
MAR-TRE-b77b7921-19
0.328
MAR-TRE-b77b7921-5
0.327
MAR-TRE-04c86cea-12
0.327
MAR-TRE-7f7bb9f0-22
0.327