Molecular Properties | |
SMILES: | CCn1c(=O)c(=O)n(CC(=O)NCc2ccccc2)c2cccnc21 |
MW: | 338.14 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 0.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-010-669-927 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-74c6519b-73
0.771
MAR-TRE-7f7bb9f0-85
0.708
MAR-TRE-74c6519b-25
0.707
MAR-TRE-4b834d9a-25
0.697
MAR-TRE-4b834d9a-95
0.667
MAR-TRE-74c6519b-78
0.658
MAR-TRE-4b834d9a-33
0.649
MAR-TRE-4b834d9a-40
0.645
MAR-TRE-67513f76-27
0.645
MAR-TRE-d0525fbf-43
0.641
MAR-TRE-7f7bb9f0-39
0.622
MAR-TRE-3e4e6814-12
0.613
MAR-TRE-3e4e6814-7
0.602
MAR-TRE-3e4e6814-14
0.598
MAR-TRE-3e4e6814-3
0.597
MAR-TRE-f6f5f473-94
0.590
MAR-TRE-f6f5f473-66
0.588
MAR-TRE-74c6519b-27
0.585
MAR-TRE-9c797165-36
0.581
MAR-TRE-3e4e6814-90
0.566
MAR-TRE-f6f5f473-55
0.566
MAR-TRE-b77b7921-54
0.557
MAR-TRE-4b834d9a-23
0.553
MAR-TRE-3e4e6814-73
0.548
MAR-TRE-04c86cea-6
0.545
MAR-TRE-04c86cea-73
0.540
MAR-TRE-4b834d9a-93
0.539
MAR-TRE-4b834d9a-39
0.524
MAR-TRE-f6f5f473-82
0.517
MAR-TRE-b77b7921-4
0.500
MAR-TRE-7f7bb9f0-17
0.500
MAR-TRE-f6f5f473-34
0.494
MAR-TRE-b77b7921-11
0.494
MAR-TRE-74c6519b-6
0.489
MAR-TRE-4b834d9a-2
0.488
MAR-TRE-04c86cea-1
0.484
MAR-TRE-4b834d9a-14
0.483
MAR-TRE-04c86cea-55
0.478
MAR-TRE-4b834d9a-6
0.478
MAR-TRE-04c86cea-52
0.477
MAR-TRE-4b834d9a-3
0.477
MAR-TRE-04c86cea-21
0.477
MAR-TRE-f6f5f473-20
0.477
MAR-TRE-4b834d9a-55
0.471
MAR-TRE-04c86cea-74
0.468
MAR-TRE-74c6519b-5
0.467
MAR-TRE-b77b7921-3
0.467
MAR-TRE-04c86cea-12
0.463
MAR-TRE-4b834d9a-4
0.462
MAR-TRE-4b834d9a-11
0.462
MAR-TRE-04c86cea-4
0.462
MAR-TRE-4b834d9a-52
0.462
MAR-TRE-f6f5f473-89
0.461
MAR-TRE-b77b7921-46
0.457
MAR-TRE-4b834d9a-5
0.457
MAR-TRE-4b834d9a-18
0.457
MAR-TRE-b77b7921-2
0.457
MAR-TRE-9c797165-40
0.455
MAR-TRE-4b834d9a-12
0.452
MAR-TRE-74c6519b-8
0.452
MAR-TRE-4b834d9a-99
0.448
MAR-TRE-4b834d9a-21
0.447
MAR-TRE-4b834d9a-13
0.446
MAR-TRE-b77b7921-1
0.446
MAR-TRE-4b834d9a-8
0.443
MAR-TRE-4b834d9a-60
0.443
MAR-TRE-67513f76-18
0.442
MAR-TRE-67513f76-2
0.442
MAR-TRE-4b834d9a-7
0.442
MAR-TRE-d0525fbf-79
0.441
MAR-TRE-04c86cea-60
0.441
MAR-TRE-7f7bb9f0-7
0.441
MAR-TRE-74c6519b-39
0.440
MAR-TRE-4b834d9a-10
0.438
MAR-TRE-04c86cea-58
0.438
MAR-TRE-f6f5f473-21
0.436
MAR-TRE-74c6519b-7
0.433
MAR-TRE-04c86cea-23
0.432
MAR-TRE-d0525fbf-39
0.432
MAR-TRE-4b834d9a-22
0.432
MAR-TRE-74c6519b-30
0.430
MAR-TRE-9c797165-25
0.430
MAR-TRE-f6f5f473-17
0.430
MAR-TRE-4b834d9a-20
0.429
MAR-TRE-74c6519b-45
0.427
MAR-TRE-3e4e6814-21
0.426
MAR-TRE-74c6519b-60
0.426
MAR-TRE-f6f5f473-40
0.426
MAR-TRE-04c86cea-80
0.424
MAR-TRE-67513f76-11
0.424
MAR-TRE-d0525fbf-9
0.421
MAR-TRE-d0525fbf-37
0.421
MAR-TRE-04c86cea-2
0.421
MAR-TRE-f6f5f473-43
0.419
MAR-TRE-d0525fbf-23
0.419
MAR-TRE-74c6519b-10
0.419
MAR-TRE-b77b7921-69
0.419
MAR-TRE-b77b7921-7
0.418
MAR-TRE-d0525fbf-22
0.418
MAR-TRE-b77b7921-5
0.418