Molecular Properties | |
SMILES: | Cc1ccc(C)c(CNC(=O)Cn2c(=O)c3nnc(C)n3c3ncccc32)c1 |
MW: | 376.16 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-907-123 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-74c6519b-10
0.718
MAR-TRE-74c6519b-6
0.686
MAR-TRE-b77b7921-2
0.682
MAR-TRE-74c6519b-8
0.674
MAR-TRE-4b834d9a-15
0.674
MAR-TRE-d0525fbf-4
0.670
MAR-TRE-7f7bb9f0-5
0.663
MAR-TRE-d0525fbf-7
0.663
MAR-TRE-7f7bb9f0-7
0.663
MAR-TRE-3e4e6814-12
0.663
MAR-TRE-9c797165-45
0.663
MAR-TRE-4b834d9a-12
0.656
MAR-TRE-4b834d9a-37
0.652
MAR-TRE-9c797165-74
0.651
MAR-TRE-4b834d9a-14
0.640
MAR-TRE-b77b7921-4
0.640
MAR-TRE-4b834d9a-6
0.633
MAR-TRE-4b834d9a-21
0.630
MAR-TRE-4b834d9a-84
0.628
MAR-TRE-b77b7921-3
0.620
MAR-TRE-04c86cea-1
0.620
MAR-TRE-d0525fbf-5
0.604
MAR-TRE-9c797165-15
0.600
MAR-TRE-b77b7921-16
0.593
MAR-TRE-67513f76-94
0.580
MAR-TRE-9c797165-89
0.573
MAR-TRE-b77b7921-61
0.571
MAR-TRE-74c6519b-9
0.562
MAR-TRE-74c6519b-71
0.560
MAR-TRE-b77b7921-93
0.548
MAR-TRE-3e4e6814-36
0.543
MAR-TRE-74c6519b-5
0.520
MAR-TRE-74c6519b-7
0.515
MAR-TRE-7f7bb9f0-29
0.505
MAR-TRE-4b834d9a-9
0.505
MAR-TRE-3e4e6814-7
0.500
MAR-TRE-4b834d9a-10
0.490
MAR-TRE-d0525fbf-41
0.485
MAR-TRE-4b834d9a-11
0.485
MAR-TRE-4b834d9a-20
0.481
MAR-TRE-4b834d9a-4
0.471
MAR-TRE-b77b7921-22
0.447
MAR-TRE-b77b7921-29
0.447
MAR-TRE-74c6519b-78
0.443
MAR-TRE-7f7bb9f0-34
0.434
MAR-TRE-b77b7921-11
0.424
MAR-TRE-4b834d9a-55
0.418
MAR-TRE-4b834d9a-99
0.414
MAR-TRE-4b834d9a-8
0.410
MAR-TRE-74c6519b-73
0.408
MAR-TRE-74c6519b-25
0.406
MAR-TRE-4b834d9a-95
0.404
MAR-TRE-d0525fbf-23
0.404
MAR-TRE-9c797165-25
0.400
MAR-TRE-f6f5f473-68
0.400
MAR-TRE-d0525fbf-28
0.398
MAR-TRE-7f7bb9f0-17
0.398
MAR-TRE-4b834d9a-87
0.396
MAR-TRE-4b834d9a-33
0.396
MAR-TRE-f6f5f473-66
0.396
MAR-TRE-d0525fbf-11
0.394
MAR-TRE-04c86cea-74
0.394
MAR-TRE-7f7bb9f0-9
0.394
MAR-TRE-4b834d9a-7
0.394
MAR-TRE-67513f76-2
0.394
MAR-TRE-d0525fbf-43
0.392
MAR-TRE-4b834d9a-2
0.392
MAR-TRE-04c86cea-12
0.391
MAR-TRE-3e4e6814-5
0.388
MAR-TRE-d0525fbf-38
0.385
MAR-TRE-74c6519b-27
0.385
MAR-TRE-7f7bb9f0-85
0.384
MAR-TRE-b77b7921-54
0.384
MAR-TRE-04c86cea-73
0.383
MAR-TRE-3e4e6814-14
0.381
MAR-TRE-74c6519b-86
0.380
MAR-TRE-4b834d9a-39
0.376
MAR-TRE-4b834d9a-40
0.376
MAR-TRE-67513f76-27
0.376
MAR-TRE-4b834d9a-22
0.376
MAR-TRE-4b834d9a-25
0.375
MAR-TRE-4b834d9a-61
0.374
MAR-TRE-4b834d9a-3
0.371
MAR-TRE-4b834d9a-18
0.370
MAR-TRE-4b834d9a-47
0.370
MAR-TRE-b77b7921-20
0.369
MAR-TRE-7f7bb9f0-39
0.367
MAR-TRE-f6f5f473-12
0.367
MAR-TRE-3e4e6814-4
0.366
MAR-TRE-b77b7921-19
0.365
MAR-TRE-d0525fbf-39
0.364
MAR-TRE-04c86cea-4
0.364
MAR-TRE-04c86cea-70
0.364
MAR-TRE-4b834d9a-13
0.361
MAR-TRE-f6f5f473-34
0.358
MAR-TRE-f6f5f473-55
0.358
MAR-TRE-4b834d9a-5
0.358
MAR-TRE-74c6519b-39
0.355
MAR-TRE-b77b7921-48
0.354
MAR-TRE-67513f76-18
0.353