Molecular Properties | |
SMILES: | CCc1ccc(CNC(=O)Cn2c(=O)c(=O)n(C)c3ncccc32)cc1 |
MW: | 352.15 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 0.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6754327710 |
MolPort: | MolPort-010-669-918 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-4b834d9a-39
0.775
MAR-TRE-4b834d9a-2
0.675
MAR-TRE-b77b7921-11
0.662
MAR-TRE-4b834d9a-3
0.637
MAR-TRE-7f7bb9f0-17
0.632
MAR-TRE-67513f76-2
0.623
MAR-TRE-4b834d9a-7
0.623
MAR-TRE-b77b7921-4
0.622
MAR-TRE-4b834d9a-55
0.615
MAR-TRE-d0525fbf-39
0.612
MAR-TRE-4b834d9a-99
0.608
MAR-TRE-4b834d9a-8
0.600
MAR-TRE-9c797165-25
0.595
MAR-TRE-74c6519b-73
0.582
MAR-TRE-d0525fbf-28
0.578
MAR-TRE-9c797165-18
0.574
MAR-TRE-d0525fbf-23
0.565
MAR-TRE-67513f76-18
0.562
MAR-TRE-3e4e6814-5
0.557
MAR-TRE-f6f5f473-66
0.542
MAR-TRE-67513f76-91
0.529
MAR-TRE-3e4e6814-72
0.523
MAR-TRE-3e4e6814-1
0.519
MAR-TRE-74c6519b-5
0.511
MAR-TRE-4b834d9a-4
0.505
MAR-TRE-4b834d9a-11
0.505
MAR-TRE-04c86cea-73
0.500
MAR-TRE-74c6519b-6
0.500
MAR-TRE-4b834d9a-14
0.494
MAR-TRE-4b834d9a-25
0.494
MAR-TRE-4b834d9a-6
0.489
MAR-TRE-3e4e6814-7
0.489
MAR-TRE-7f7bb9f0-57
0.488
MAR-TRE-4b834d9a-5
0.484
MAR-TRE-4b834d9a-18
0.484
MAR-TRE-74c6519b-25
0.483
MAR-TRE-04c86cea-1
0.478
MAR-TRE-b77b7921-3
0.478
MAR-TRE-f6f5f473-43
0.478
MAR-TRE-3e4e6814-12
0.477
MAR-TRE-04c86cea-4
0.473
MAR-TRE-4b834d9a-13
0.473
MAR-TRE-f6f5f473-34
0.472
MAR-TRE-4b834d9a-60
0.471
MAR-TRE-04c86cea-77
0.467
MAR-TRE-f6f5f473-88
0.467
MAR-TRE-3e4e6814-14
0.467
MAR-TRE-04c86cea-56
0.462
MAR-TRE-74c6519b-78
0.460
MAR-TRE-7f7bb9f0-85
0.459
MAR-TRE-04c86cea-36
0.457
MAR-TRE-74c6519b-30
0.457
MAR-TRE-04c86cea-63
0.457
MAR-TRE-f6f5f473-17
0.457
MAR-TRE-04c86cea-21
0.456
MAR-TRE-04c86cea-52
0.456
MAR-TRE-74c6519b-27
0.456
MAR-TRE-f6f5f473-20
0.456
MAR-TRE-f6f5f473-94
0.453
MAR-TRE-3e4e6814-21
0.452
MAR-TRE-67513f76-27
0.448
MAR-TRE-4b834d9a-40
0.448
MAR-TRE-4b834d9a-95
0.448
MAR-TRE-f6f5f473-62
0.448
MAR-TRE-d0525fbf-9
0.447
MAR-TRE-d0525fbf-37
0.447
MAR-TRE-f6f5f473-16
0.447
MAR-TRE-b77b7921-7
0.443
MAR-TRE-b77b7921-5
0.443
MAR-TRE-4b834d9a-35
0.441
MAR-TRE-f6f5f473-55
0.440
MAR-TRE-4b834d9a-20
0.439
MAR-TRE-4b834d9a-33
0.438
MAR-TRE-9c797165-61
0.438
MAR-TRE-b77b7921-2
0.436
MAR-TRE-74c6519b-39
0.435
MAR-TRE-d0525fbf-43
0.433
MAR-TRE-4b834d9a-10
0.433
MAR-TRE-f6f5f473-82
0.430
MAR-TRE-4b834d9a-23
0.430
MAR-TRE-74c6519b-7
0.429
MAR-TRE-04c86cea-6
0.427
MAR-TRE-4b834d9a-21
0.427
MAR-TRE-d0525fbf-5
0.424
MAR-TRE-3e4e6814-73
0.424
MAR-TRE-7f7bb9f0-39
0.424
MAR-TRE-7f7bb9f0-87
0.421
MAR-TRE-7f7bb9f0-7
0.421
MAR-TRE-67513f76-11
0.419
MAR-TRE-d0525fbf-100
0.417
MAR-TRE-4b834d9a-12
0.417
MAR-TRE-74c6519b-8
0.417
MAR-TRE-d0525fbf-22
0.414
MAR-TRE-74c6519b-9
0.412
MAR-TRE-4b834d9a-22
0.412
MAR-TRE-4b834d9a-93
0.408
MAR-TRE-9c797165-36
0.405
MAR-TRE-04c86cea-80
0.404
MAR-TRE-04c86cea-74
0.404
MAR-TRE-f6f5f473-21
0.402