Molecular Properties | |
SMILES: | Cn1c(=O)c(=O)n(CC(=O)NCc2ccco2)c2cccnc21 |
MW: | 314.1 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 99.13 |
cLogP: | 0.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-745-488 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-67513f76-18
0.736
MAR-TRE-67513f76-2
0.736
MAR-TRE-7f7bb9f0-85
0.722
MAR-TRE-4b834d9a-7
0.645
MAR-TRE-7f7bb9f0-57
0.641
MAR-TRE-4b834d9a-39
0.636
MAR-TRE-4b834d9a-55
0.636
MAR-TRE-b77b7921-54
0.632
MAR-TRE-4b834d9a-99
0.628
MAR-TRE-b77b7921-11
0.620
MAR-TRE-4b834d9a-8
0.620
MAR-TRE-4b834d9a-2
0.613
MAR-TRE-d0525fbf-28
0.598
MAR-TRE-4b834d9a-3
0.598
MAR-TRE-d0525fbf-23
0.583
MAR-TRE-74c6519b-92
0.583
MAR-TRE-9c797165-25
0.576
MAR-TRE-9c797165-18
0.574
MAR-TRE-3e4e6814-33
0.565
MAR-TRE-9c797165-23
0.565
MAR-TRE-d0525fbf-39
0.557
MAR-TRE-3e4e6814-1
0.537
MAR-TRE-67513f76-27
0.537
MAR-TRE-67513f76-91
0.511
MAR-TRE-3e4e6814-72
0.506
MAR-TRE-3e4e6814-5
0.500
MAR-TRE-74c6519b-78
0.494
MAR-TRE-4b834d9a-50
0.489
MAR-TRE-74c6519b-40
0.484
MAR-TRE-d0525fbf-61
0.473
MAR-TRE-d0525fbf-60
0.468
MAR-TRE-04c86cea-77
0.467
MAR-TRE-4b834d9a-40
0.465
MAR-TRE-4b834d9a-95
0.465
MAR-TRE-4b834d9a-33
0.455
MAR-TRE-9c797165-61
0.455
MAR-TRE-74c6519b-73
0.453
MAR-TRE-74c6519b-25
0.449
MAR-TRE-d0525fbf-43
0.449
MAR-TRE-4b834d9a-25
0.444
MAR-TRE-3e4e6814-14
0.435
MAR-TRE-3e4e6814-86
0.430
MAR-TRE-74c6519b-10
0.430
MAR-TRE-3e4e6814-12
0.429
MAR-TRE-7f7bb9f0-39
0.424
MAR-TRE-f6f5f473-66
0.422
MAR-TRE-9c797165-85
0.421
MAR-TRE-b77b7921-29
0.417
MAR-TRE-4b834d9a-22
0.412
MAR-TRE-74c6519b-9
0.412
MAR-TRE-3e4e6814-7
0.411
MAR-TRE-74c6519b-27
0.409
MAR-TRE-4b834d9a-93
0.408
MAR-TRE-4b834d9a-47
0.406
MAR-TRE-9c797165-36
0.405
MAR-TRE-f6f5f473-94
0.404
MAR-TRE-d0525fbf-100
0.402
MAR-TRE-4b834d9a-12
0.402
MAR-TRE-d0525fbf-22
0.400
MAR-TRE-b77b7921-23
0.398
MAR-TRE-04c86cea-6
0.398
MAR-TRE-f6f5f473-68
0.396
MAR-TRE-4b834d9a-37
0.396
MAR-TRE-9c797165-72
0.396
MAR-TRE-d0525fbf-38
0.394
MAR-TRE-f6f5f473-55
0.394
MAR-TRE-4b834d9a-5
0.392
MAR-TRE-4b834d9a-18
0.392
MAR-TRE-b77b7921-2
0.392
MAR-TRE-04c86cea-73
0.392
MAR-TRE-4b834d9a-10
0.390
MAR-TRE-04c86cea-74
0.390
MAR-TRE-74c6519b-6
0.389
MAR-TRE-9c797165-45
0.389
MAR-TRE-04c86cea-1
0.388
MAR-TRE-4b834d9a-15
0.388
MAR-TRE-74c6519b-8
0.388
MAR-TRE-74c6519b-86
0.388
MAR-TRE-67513f76-10
0.387
MAR-TRE-04c86cea-12
0.386
MAR-TRE-4b834d9a-14
0.385
MAR-TRE-4b834d9a-23
0.385
MAR-TRE-b77b7921-4
0.385
MAR-TRE-7f7bb9f0-87
0.385
MAR-TRE-d0525fbf-41
0.384
MAR-TRE-4b834d9a-21
0.384
MAR-TRE-04c86cea-4
0.384
MAR-TRE-4b834d9a-6
0.381
MAR-TRE-4b834d9a-61
0.381
MAR-TRE-3e4e6814-73
0.379
MAR-TRE-04c86cea-69
0.379
MAR-TRE-f6f5f473-34
0.379
MAR-TRE-9c797165-54
0.379
MAR-TRE-3e4e6814-90
0.379
MAR-TRE-3e4e6814-3
0.378
MAR-TRE-7f7bb9f0-7
0.378
MAR-TRE-b77b7921-10
0.377
MAR-TRE-4b834d9a-9
0.376
MAR-TRE-d0525fbf-4
0.376
MAR-TRE-04c86cea-58
0.376