Molecular Properties | |
SMILES: | Cc1ccc(CNC(=O)Cn2c(=O)c(=O)n(Cc3ccc(C)cc3)c3ncccc32)cc1 |
MW: | 428.18 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 85.99 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9798886609 |
MolPort: | MolPort-010-670-037 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-04c86cea-73
0.878
MAR-TRE-74c6519b-73
0.767
MAR-TRE-04c86cea-74
0.723
MAR-TRE-04c86cea-12
0.714
MAR-TRE-74c6519b-75
0.684
MAR-TRE-f6f5f473-40
0.635
MAR-TRE-f6f5f473-54
0.635
MAR-TRE-74c6519b-6
0.600
MAR-TRE-3e4e6814-5
0.588
MAR-TRE-f6f5f473-92
0.581
MAR-TRE-4b834d9a-93
0.578
MAR-TRE-74c6519b-5
0.573
MAR-TRE-f6f5f473-34
0.570
MAR-TRE-3e4e6814-35
0.554
MAR-TRE-74c6519b-30
0.551
MAR-TRE-74c6519b-25
0.547
MAR-TRE-3e4e6814-21
0.544
MAR-TRE-4b834d9a-51
0.543
MAR-TRE-b77b7921-54
0.542
MAR-TRE-f6f5f473-43
0.539
MAR-TRE-4b834d9a-39
0.529
MAR-TRE-f6f5f473-88
0.527
MAR-TRE-f6f5f473-17
0.516
MAR-TRE-4b834d9a-5
0.511
MAR-TRE-4b834d9a-25
0.506
MAR-TRE-f6f5f473-21
0.505
MAR-TRE-4b834d9a-6
0.500
MAR-TRE-3e4e6814-11
0.500
MAR-TRE-04c86cea-55
0.500
MAR-TRE-f6f5f473-55
0.500
MAR-TRE-4b834d9a-18
0.495
MAR-TRE-74c6519b-39
0.495
MAR-TRE-67513f76-27
0.494
MAR-TRE-4b834d9a-95
0.494
MAR-TRE-b77b7921-4
0.489
MAR-TRE-4b834d9a-14
0.489
MAR-TRE-74c6519b-78
0.489
MAR-TRE-7f7bb9f0-85
0.488
MAR-TRE-f6f5f473-89
0.484
MAR-TRE-b77b7921-11
0.483
MAR-TRE-3e4e6814-14
0.478
MAR-TRE-4b834d9a-40
0.477
MAR-TRE-b77b7921-45
0.474
MAR-TRE-b77b7921-3
0.474
MAR-TRE-04c86cea-1
0.474
MAR-TRE-3e4e6814-12
0.473
MAR-TRE-b77b7921-5
0.469
MAR-TRE-4b834d9a-4
0.469
MAR-TRE-4b834d9a-13
0.468
MAR-TRE-4b834d9a-33
0.467
MAR-TRE-04c86cea-3
0.464
MAR-TRE-04c86cea-80
0.462
MAR-TRE-d0525fbf-43
0.462
MAR-TRE-b77b7921-7
0.455
MAR-TRE-04c86cea-66
0.455
MAR-TRE-04c86cea-4
0.454
MAR-TRE-4b834d9a-11
0.454
MAR-TRE-7f7bb9f0-39
0.453
MAR-TRE-04c86cea-21
0.452
MAR-TRE-4b834d9a-60
0.451
MAR-TRE-4b834d9a-2
0.446
MAR-TRE-4b834d9a-55
0.444
MAR-TRE-f6f5f473-61
0.444
MAR-TRE-d0525fbf-9
0.443
MAR-TRE-b77b7921-48
0.440
MAR-TRE-04c86cea-6
0.439
MAR-TRE-d0525fbf-39
0.439
MAR-TRE-4b834d9a-22
0.439
MAR-TRE-04c86cea-36
0.438
MAR-TRE-4b834d9a-35
0.438
MAR-TRE-3e4e6814-7
0.438
MAR-TRE-74c6519b-59
0.438
MAR-TRE-4b834d9a-3
0.436
MAR-TRE-74c6519b-27
0.436
MAR-TRE-04c86cea-52
0.436
MAR-TRE-f6f5f473-20
0.436
MAR-TRE-f6f5f473-93
0.434
MAR-TRE-74c6519b-40
0.434
MAR-TRE-f6f5f473-22
0.434
MAR-TRE-67513f76-2
0.433
MAR-TRE-f6f5f473-94
0.433
MAR-TRE-b77b7921-2
0.433
MAR-TRE-3e4e6814-70
0.430
MAR-TRE-d0525fbf-37
0.429
MAR-TRE-4b834d9a-12
0.429
MAR-TRE-74c6519b-8
0.429
MAR-TRE-04c86cea-56
0.429
MAR-TRE-f6f5f473-16
0.429
MAR-TRE-3e4e6814-71
0.429
MAR-TRE-b77b7921-69
0.427
MAR-TRE-04c86cea-63
0.423
MAR-TRE-7f7bb9f0-17
0.422
MAR-TRE-04c86cea-33
0.422
MAR-TRE-d0525fbf-5
0.422
MAR-TRE-3e4e6814-90
0.421
MAR-TRE-9c797165-36
0.419
MAR-TRE-7f7bb9f0-7
0.418
MAR-TRE-4b834d9a-7
0.418
MAR-TRE-f6f5f473-62
0.416
MAR-TRE-74c6519b-36
0.414