Molecular Properties | |
SMILES: | Cc1ccccc1CNC(=O)Cn1c(=O)c2nncn2c2ncccc21 |
MW: | 348.13 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3875004912 |
MolPort: | MolPort-010-907-028 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-74c6519b-27
0.682
MAR-TRE-4b834d9a-61
0.678
MAR-TRE-7f7bb9f0-9
0.659
MAR-TRE-d0525fbf-11
0.659
MAR-TRE-4b834d9a-13
0.640
MAR-TRE-04c86cea-4
0.637
MAR-TRE-74c6519b-10
0.629
MAR-TRE-74c6519b-78
0.616
MAR-TRE-74c6519b-9
0.602
MAR-TRE-3e4e6814-76
0.576
MAR-TRE-f6f5f473-68
0.521
MAR-TRE-74c6519b-86
0.510
MAR-TRE-4b834d9a-55
0.484
MAR-TRE-4b834d9a-15
0.480
MAR-TRE-4b834d9a-95
0.468
MAR-TRE-4b834d9a-99
0.463
MAR-TRE-4b834d9a-8
0.458
MAR-TRE-4b834d9a-9
0.452
MAR-TRE-b77b7921-23
0.447
MAR-TRE-4b834d9a-33
0.443
MAR-TRE-d0525fbf-38
0.442
MAR-TRE-d0525fbf-43
0.439
MAR-TRE-3e4e6814-12
0.434
MAR-TRE-7f7bb9f0-5
0.434
MAR-TRE-d0525fbf-7
0.434
MAR-TRE-4b834d9a-37
0.431
MAR-TRE-d0525fbf-28
0.430
MAR-TRE-d0525fbf-4
0.425
MAR-TRE-7f7bb9f0-17
0.417
MAR-TRE-67513f76-2
0.412
MAR-TRE-4b834d9a-7
0.412
MAR-TRE-9c797165-45
0.412
MAR-TRE-74c6519b-6
0.412
MAR-TRE-04c86cea-74
0.411
MAR-TRE-74c6519b-8
0.410
MAR-TRE-b77b7921-4
0.408
MAR-TRE-4b834d9a-14
0.408
MAR-TRE-04c86cea-12
0.407
MAR-TRE-d0525fbf-41
0.406
MAR-TRE-4b834d9a-21
0.406
MAR-TRE-b77b7921-19
0.405
MAR-TRE-3e4e6814-7
0.404
MAR-TRE-4b834d9a-6
0.404
MAR-TRE-7f7bb9f0-85
0.402
MAR-TRE-7f7bb9f0-7
0.400
MAR-TRE-b77b7921-2
0.400
MAR-TRE-4b834d9a-47
0.400
MAR-TRE-b77b7921-11
0.400
MAR-TRE-3e4e6814-14
0.398
MAR-TRE-74c6519b-5
0.396
MAR-TRE-b77b7921-3
0.396
MAR-TRE-04c86cea-1
0.396
MAR-TRE-4b834d9a-12
0.396
MAR-TRE-74c6519b-7
0.394
MAR-TRE-d0525fbf-23
0.394
MAR-TRE-67513f76-27
0.394
MAR-TRE-4b834d9a-40
0.394
MAR-TRE-3e4e6814-5
0.392
MAR-TRE-d0525fbf-5
0.391
MAR-TRE-9c797165-25
0.390
MAR-TRE-4b834d9a-84
0.390
MAR-TRE-4b834d9a-93
0.389
MAR-TRE-04c86cea-69
0.388
MAR-TRE-b77b7921-54
0.388
MAR-TRE-74c6519b-73
0.384
MAR-TRE-f6f5f473-12
0.383
MAR-TRE-74c6519b-25
0.382
MAR-TRE-9c797165-74
0.382
MAR-TRE-4b834d9a-2
0.382
MAR-TRE-4b834d9a-39
0.380
MAR-TRE-04c86cea-70
0.380
MAR-TRE-4b834d9a-4
0.380
MAR-TRE-4b834d9a-11
0.380
MAR-TRE-4b834d9a-22
0.380
MAR-TRE-4b834d9a-20
0.378
MAR-TRE-d0525fbf-12
0.376
MAR-TRE-3e4e6814-90
0.375
MAR-TRE-4b834d9a-76
0.374
MAR-TRE-4b834d9a-5
0.374
MAR-TRE-4b834d9a-18
0.374
MAR-TRE-4b834d9a-10
0.373
MAR-TRE-f6f5f473-66
0.373
MAR-TRE-b77b7921-16
0.371
MAR-TRE-04c86cea-45
0.371
MAR-TRE-f6f5f473-50
0.367
MAR-TRE-4b834d9a-25
0.365
MAR-TRE-4b834d9a-54
0.364
MAR-TRE-9c797165-15
0.364
MAR-TRE-9c797165-89
0.363
MAR-TRE-4b834d9a-3
0.362
MAR-TRE-d0525fbf-3
0.360
MAR-TRE-04c86cea-25
0.357
MAR-TRE-d0525fbf-22
0.357
MAR-TRE-b77b7921-26
0.357
MAR-TRE-67513f76-18
0.356
MAR-TRE-04c86cea-6
0.355
MAR-TRE-d0525fbf-39
0.355
MAR-TRE-67513f76-94
0.353
MAR-TRE-f6f5f473-26
0.351
MAR-TRE-04c86cea-73
0.349