Molecular Properties | |
SMILES: | O=C(Cn1c(=O)c2nncn2c2ncccc21)NCc1ccc(Cl)cc1 |
MW: | 368.08 |
Fraction sp3: | 0.12 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-907-024 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-04c86cea-4
0.793
MAR-TRE-74c6519b-27
0.785
MAR-TRE-7f7bb9f0-9
0.656
MAR-TRE-d0525fbf-11
0.656
MAR-TRE-4b834d9a-61
0.655
MAR-TRE-b77b7921-29
0.640
MAR-TRE-4b834d9a-6
0.600
MAR-TRE-4b834d9a-4
0.581
MAR-TRE-4b834d9a-5
0.576
MAR-TRE-3e4e6814-76
0.554
MAR-TRE-b77b7921-5
0.531
MAR-TRE-04c86cea-21
0.516
MAR-TRE-4b834d9a-35
0.500
MAR-TRE-04c86cea-36
0.500
MAR-TRE-f6f5f473-16
0.490
MAR-TRE-d0525fbf-9
0.490
MAR-TRE-74c6519b-6
0.479
MAR-TRE-04c86cea-1
0.475
MAR-TRE-4b834d9a-14
0.474
MAR-TRE-b77b7921-4
0.474
MAR-TRE-b77b7921-54
0.473
MAR-TRE-f6f5f473-66
0.468
MAR-TRE-74c6519b-73
0.467
MAR-TRE-d0525fbf-5
0.466
MAR-TRE-4b834d9a-39
0.462
MAR-TRE-74c6519b-5
0.460
MAR-TRE-b77b7921-3
0.460
MAR-TRE-3e4e6814-12
0.458
MAR-TRE-4b834d9a-11
0.455
MAR-TRE-4b834d9a-18
0.450
MAR-TRE-3e4e6814-5
0.446
MAR-TRE-4b834d9a-12
0.446
MAR-TRE-4b834d9a-22
0.441
MAR-TRE-3e4e6814-7
0.440
MAR-TRE-04c86cea-73
0.436
MAR-TRE-3e4e6814-14
0.434
MAR-TRE-4b834d9a-10
0.433
MAR-TRE-b77b7921-2
0.422
MAR-TRE-74c6519b-8
0.417
MAR-TRE-b77b7921-7
0.415
MAR-TRE-4b834d9a-21
0.413
MAR-TRE-b77b7921-8
0.411
MAR-TRE-4b834d9a-60
0.408
MAR-TRE-b77b7921-11
0.408
MAR-TRE-7f7bb9f0-7
0.408
MAR-TRE-4b834d9a-2
0.404
MAR-TRE-74c6519b-25
0.404
MAR-TRE-4b834d9a-55
0.402
MAR-TRE-4b834d9a-95
0.402
MAR-TRE-74c6519b-7
0.402
MAR-TRE-04c86cea-6
0.400
MAR-TRE-4b834d9a-25
0.400
MAR-TRE-4b834d9a-20
0.398
MAR-TRE-f6f5f473-20
0.396
MAR-TRE-f6f5f473-34
0.396
MAR-TRE-04c86cea-52
0.396
MAR-TRE-f6f5f473-94
0.392
MAR-TRE-7f7bb9f0-5
0.389
MAR-TRE-d0525fbf-7
0.389
MAR-TRE-f6f5f473-43
0.388
MAR-TRE-74c6519b-30
0.385
MAR-TRE-f6f5f473-17
0.385
MAR-TRE-04c86cea-63
0.385
MAR-TRE-4b834d9a-3
0.382
MAR-TRE-3e4e6814-21
0.381
MAR-TRE-f6f5f473-88
0.381
MAR-TRE-9c797165-45
0.378
MAR-TRE-04c86cea-56
0.377
MAR-TRE-4b834d9a-15
0.377
MAR-TRE-d0525fbf-37
0.377
MAR-TRE-d0525fbf-22
0.376
MAR-TRE-d0525fbf-6
0.376
MAR-TRE-74c6519b-10
0.375
MAR-TRE-d0525fbf-39
0.374
MAR-TRE-4b834d9a-37
0.371
MAR-TRE-4b834d9a-93
0.370
MAR-TRE-4b834d9a-99
0.370
MAR-TRE-3e4e6814-73
0.369
MAR-TRE-f6f5f473-55
0.369
MAR-TRE-7f7bb9f0-17
0.367
MAR-TRE-7f7bb9f0-85
0.367
MAR-TRE-4b834d9a-9
0.367
MAR-TRE-d0525fbf-4
0.367
MAR-TRE-f6f5f473-62
0.367
MAR-TRE-04c86cea-74
0.367
MAR-TRE-f6f5f473-96
0.367
MAR-TRE-4b834d9a-33
0.366
MAR-TRE-67513f76-11
0.365
MAR-TRE-74c6519b-39
0.365
MAR-TRE-67513f76-2
0.364
MAR-TRE-4b834d9a-7
0.364
MAR-TRE-4b834d9a-23
0.362
MAR-TRE-f6f5f473-82
0.362
MAR-TRE-d0525fbf-41
0.361
MAR-TRE-74c6519b-9
0.361
MAR-TRE-b77b7921-23
0.361
MAR-TRE-67513f76-27
0.360
MAR-TRE-4b834d9a-40
0.360
MAR-TRE-4b834d9a-84
0.356
MAR-TRE-74c6519b-78
0.356