Molecular Properties | |
SMILES: | Cc1ccc(CNC(=O)Cn2c(=O)c3nnc(C)n3c3ncccc32)cc1 |
MW: | 362.15 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8815784291 |
MolPort: | MolPort-010-907-084 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-b77b7921-4
0.831
MAR-TRE-4b834d9a-14
0.831
MAR-TRE-4b834d9a-6
0.821
MAR-TRE-3e4e6814-12
0.816
MAR-TRE-b77b7921-3
0.800
MAR-TRE-04c86cea-1
0.800
MAR-TRE-74c6519b-5
0.756
MAR-TRE-b77b7921-2
0.744
MAR-TRE-74c6519b-8
0.735
MAR-TRE-7f7bb9f0-7
0.723
MAR-TRE-4b834d9a-12
0.714
MAR-TRE-4b834d9a-21
0.706
MAR-TRE-9c797165-45
0.705
MAR-TRE-d0525fbf-5
0.693
MAR-TRE-b77b7921-23
0.686
MAR-TRE-74c6519b-10
0.679
MAR-TRE-4b834d9a-37
0.671
MAR-TRE-4b834d9a-84
0.667
MAR-TRE-4b834d9a-15
0.655
MAR-TRE-9c797165-74
0.651
MAR-TRE-9c797165-15
0.637
MAR-TRE-d0525fbf-4
0.633
MAR-TRE-4b834d9a-11
0.629
MAR-TRE-b77b7921-16
0.628
MAR-TRE-7f7bb9f0-5
0.626
MAR-TRE-d0525fbf-7
0.626
MAR-TRE-74c6519b-73
0.622
MAR-TRE-67513f76-94
0.614
MAR-TRE-3e4e6814-7
0.614
MAR-TRE-4b834d9a-4
0.611
MAR-TRE-9c797165-89
0.607
MAR-TRE-f6f5f473-66
0.600
MAR-TRE-74c6519b-71
0.593
MAR-TRE-b77b7921-61
0.585
MAR-TRE-b77b7921-93
0.580
MAR-TRE-3e4e6814-36
0.573
MAR-TRE-74c6519b-7
0.558
MAR-TRE-04c86cea-73
0.554
MAR-TRE-f6f5f473-34
0.544
MAR-TRE-4b834d9a-20
0.536
MAR-TRE-7f7bb9f0-29
0.534
MAR-TRE-4b834d9a-10
0.531
MAR-TRE-74c6519b-30
0.527
MAR-TRE-74c6519b-9
0.526
MAR-TRE-f6f5f473-43
0.516
MAR-TRE-3e4e6814-21
0.505
MAR-TRE-f6f5f473-88
0.505
MAR-TRE-b77b7921-54
0.500
MAR-TRE-d0525fbf-41
0.495
MAR-TRE-f6f5f473-17
0.495
MAR-TRE-4b834d9a-18
0.490
MAR-TRE-4b834d9a-39
0.489
MAR-TRE-3e4e6814-5
0.489
MAR-TRE-4b834d9a-9
0.485
MAR-TRE-04c86cea-4
0.480
MAR-TRE-4b834d9a-13
0.479
MAR-TRE-74c6519b-27
0.479
MAR-TRE-f6f5f473-55
0.479
MAR-TRE-4b834d9a-5
0.474
MAR-TRE-3e4e6814-14
0.474
MAR-TRE-b77b7921-22
0.469
MAR-TRE-f6f5f473-21
0.469
MAR-TRE-74c6519b-39
0.458
MAR-TRE-7f7bb9f0-34
0.455
MAR-TRE-b77b7921-7
0.451
MAR-TRE-3e4e6814-11
0.450
MAR-TRE-b77b7921-11
0.447
MAR-TRE-04c86cea-3
0.446
MAR-TRE-74c6519b-25
0.442
MAR-TRE-b77b7921-45
0.441
MAR-TRE-04c86cea-74
0.441
MAR-TRE-b77b7921-5
0.437
MAR-TRE-04c86cea-66
0.437
MAR-TRE-04c86cea-12
0.437
MAR-TRE-04c86cea-6
0.436
MAR-TRE-04c86cea-52
0.433
MAR-TRE-4b834d9a-60
0.432
MAR-TRE-f6f5f473-94
0.430
MAR-TRE-04c86cea-80
0.429
MAR-TRE-4b834d9a-2
0.427
MAR-TRE-b77b7921-48
0.423
MAR-TRE-4b834d9a-25
0.423
MAR-TRE-4b834d9a-22
0.422
MAR-TRE-04c86cea-63
0.420
MAR-TRE-04c86cea-21
0.418
MAR-TRE-f6f5f473-20
0.418
MAR-TRE-f6f5f473-22
0.417
MAR-TRE-4b834d9a-87
0.416
MAR-TRE-b77b7921-29
0.412
MAR-TRE-d0525fbf-37
0.412
MAR-TRE-04c86cea-56
0.412
MAR-TRE-74c6519b-78
0.406
MAR-TRE-4b834d9a-35
0.406
MAR-TRE-04c86cea-36
0.406
MAR-TRE-4b834d9a-3
0.404
MAR-TRE-3e4e6814-73
0.404
MAR-TRE-67513f76-2
0.400
MAR-TRE-f6f5f473-62
0.400
MAR-TRE-d0525fbf-9
0.398
MAR-TRE-f6f5f473-16
0.398