Molecular Properties | |
SMILES: | Cc1cc2c(=O)n(CC(=O)N3CCc4ccccc43)c3cccnc3n2n1 |
MW: | 359.14 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 72.5 |
cLogP: | 1.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7783102617 |
MolPort: | MolPort-010-930-683 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-04c86cea-16
0.733
MAR-TRE-74c6519b-3
0.532
MAR-TRE-3e4e6814-14
0.521
MAR-TRE-7f7bb9f0-93
0.505
MAR-TRE-74c6519b-60
0.505
MAR-TRE-d0525fbf-38
0.490
MAR-TRE-9c797165-92
0.490
MAR-TRE-67513f76-76
0.480
MAR-TRE-4b834d9a-83
0.476
MAR-TRE-4b834d9a-5
0.475
MAR-TRE-4b834d9a-18
0.475
MAR-TRE-4b834d9a-47
0.475
MAR-TRE-67513f76-52
0.471
MAR-TRE-b77b7921-90
0.471
MAR-TRE-4b834d9a-22
0.466
MAR-TRE-d0525fbf-22
0.453
MAR-TRE-b77b7921-38
0.419
MAR-TRE-b77b7921-84
0.382
MAR-TRE-04c86cea-6
0.373
MAR-TRE-f6f5f473-70
0.370
SAD-SAT-24589cd1-7
0.370
MAR-TRE-1c920f6f-82
0.366
MAR-TRE-74c6519b-61
0.365
MAR-TRE-04c86cea-27
0.363
MAR-TRE-b77b7921-19
0.362
MAR-TRE-f6f5f473-59
0.354
MAR-TRE-04c86cea-28
0.349
MAR-TRE-d0525fbf-94
0.348
MAR-TRE-f6f5f473-44
0.345
MAR-TRE-74c6519b-88
0.342
MAR-TRE-b77b7921-7
0.339
MAR-TRE-b77b7921-26
0.339
MAR-TRE-74c6519b-64
0.339
MAR-TRE-b77b7921-5
0.339
MAR-TRE-b77b7921-8
0.336
MAR-TRE-b77b7921-10
0.333
MAT-POS-b5746674-113
0.327
MAR-TRE-4b834d9a-32
0.324
MAR-TRE-0fda4e82-5
0.321
MAR-TRE-3e4e6814-35
0.319
MAR-TRE-3e4e6814-10
0.318
MAR-TRE-4b834d9a-51
0.314
MAR-TRE-b77b7921-69
0.312
MAR-TRE-9c797165-40
0.312
BRU-UNI-248b30bc-26
0.310
MAR-TRE-4b834d9a-30
0.308
MAR-TRE-f6f5f473-40
0.307
MAR-TRE-9c797165-36
0.307
MAR-TRE-f6f5f473-89
0.306
MAR-TRE-7f7bb9f0-29
0.306
MAR-TRE-74c6519b-36
0.304
MAR-TRE-9c797165-61
0.303
MAR-TRE-3e4e6814-3
0.302
MAR-TRE-9c797165-18
0.301
MAR-TRE-3e4e6814-76
0.301
MAR-TRE-74c6519b-75
0.300
MAR-TRE-4b834d9a-93
0.299
MAR-TRE-f6f5f473-72
0.297
MAR-TRE-04c86cea-77
0.296
MAR-TRE-f6f5f473-88
0.296
MAR-TRE-f6f5f473-54
0.296
MAR-TRE-d0525fbf-100
0.293
MAR-TRE-3e4e6814-1
0.292
MAR-TRE-3e4e6814-5
0.292
MAR-TRE-f6f5f473-66
0.291
MAR-TRE-7f7bb9f0-57
0.291
MAR-TRE-3e4e6814-20
0.291
MAR-TRE-7f7bb9f0-85
0.290
MAR-TRE-f6f5f473-43
0.289
MAR-TRE-f6f5f473-82
0.289
MAR-TRE-74c6519b-25
0.288
MAR-TRE-74c6519b-73
0.287
MAR-TRE-67513f76-27
0.284
MAR-TRE-04c86cea-12
0.283
MAR-TRE-04c86cea-25
0.283
MAR-TRE-74c6519b-27
0.283
MAR-TRE-b77b7921-29
0.282
MAR-TRE-74c6519b-78
0.282
MAR-TRE-9c797165-89
0.282
MAR-TRE-3e4e6814-36
0.281
MAR-TRE-b77b7921-11
0.279
MAR-TRE-3e4e6814-33
0.278
MAR-TRE-7f7bb9f0-17
0.278
MAR-TRE-b77b7921-44
0.278
MAR-TRE-74c6519b-71
0.277
MAR-TRE-d0525fbf-43
0.277
MAR-TRE-67513f76-2
0.275
MAR-TRE-67513f76-18
0.275
MAR-TRE-04c86cea-74
0.275
MAR-TRE-f6f5f473-62
0.275
MAR-TRE-3e4e6814-12
0.274
MAR-TRE-04c86cea-20
0.274
MAR-TRE-7f7bb9f0-39
0.274
MAR-TRE-3e4e6814-69
0.274
MAR-TRE-04c86cea-73
0.274
MAR-TRE-74c6519b-16
0.273
MAR-TRE-04c86cea-9
0.273
MAR-TRE-04c86cea-11
0.273
MAR-TRE-67513f76-94
0.273
MAR-TRE-4b834d9a-95
0.273