Molecular Properties | |
SMILES: | CCn1c(=O)c(=O)n(CC(=O)NCc2ccccc2Cl)c2cccnc21 |
MW: | 372.1 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 1.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9452030821 |
MolPort: | MolPort-010-669-929 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-3e4e6814-90
0.750
MAR-TRE-74c6519b-78
0.743
MAR-TRE-4b834d9a-33
0.733
MAR-TRE-4b834d9a-55
0.730
MAR-TRE-d0525fbf-43
0.724
MAR-TRE-3e4e6814-5
0.667
MAR-TRE-7f7bb9f0-85
0.658
MAR-TRE-4b834d9a-40
0.641
MAR-TRE-67513f76-27
0.641
MAR-TRE-74c6519b-73
0.628
MAR-TRE-04c86cea-69
0.602
MAR-TRE-74c6519b-25
0.598
MAR-TRE-7f7bb9f0-39
0.597
MAR-TRE-4b834d9a-25
0.590
MAR-TRE-9c797165-36
0.579
MAR-TRE-4b834d9a-76
0.575
MAR-TRE-d0525fbf-12
0.573
MAR-TRE-3e4e6814-3
0.556
MAR-TRE-f6f5f473-50
0.544
MAR-TRE-04c86cea-55
0.544
MAR-TRE-04c86cea-74
0.533
MAR-TRE-04c86cea-12
0.527
MAR-TRE-4b834d9a-99
0.518
MAR-TRE-4b834d9a-8
0.512
MAR-TRE-04c86cea-92
0.500
MAR-TRE-f6f5f473-66
0.494
MAR-TRE-d0525fbf-29
0.489
MAR-TRE-74c6519b-20
0.474
MAR-TRE-74c6519b-4
0.474
MAR-TRE-d0525fbf-11
0.469
MAR-TRE-b77b7921-29
0.468
MAR-TRE-74c6519b-10
0.467
MAR-TRE-7f7bb9f0-17
0.465
MAR-TRE-d0525fbf-7
0.464
MAR-TRE-74c6519b-9
0.463
MAR-TRE-9c797165-25
0.462
MAR-TRE-d0525fbf-28
0.462
MAR-TRE-b77b7921-28
0.459
MAR-TRE-4b834d9a-93
0.458
MAR-TRE-04c86cea-73
0.457
MAR-TRE-4b834d9a-9
0.454
MAR-TRE-4b834d9a-15
0.453
MAR-TRE-d0525fbf-23
0.452
MAR-TRE-b77b7921-54
0.448
MAR-TRE-b77b7921-43
0.448
MAR-TRE-d0525fbf-38
0.443
MAR-TRE-67513f76-2
0.443
MAR-TRE-4b834d9a-7
0.443
MAR-TRE-9c797165-40
0.440
MAR-TRE-f6f5f473-61
0.439
MAR-TRE-f6f5f473-68
0.432
MAR-TRE-04c86cea-88
0.429
MAR-TRE-04c86cea-45
0.426
MAR-TRE-74c6519b-86
0.423
MAR-TRE-f6f5f473-12
0.423
MAR-TRE-4b834d9a-39
0.422
MAR-TRE-d0525fbf-44
0.422
MAR-TRE-04c86cea-70
0.418
MAR-TRE-04c86cea-4
0.418
MAR-TRE-b77b7921-19
0.417
MAR-TRE-4b834d9a-54
0.417
MAR-TRE-b77b7921-11
0.413
MAR-TRE-9c797165-45
0.411
MAR-TRE-d0525fbf-3
0.410
MAR-TRE-d0525fbf-4
0.410
MAR-TRE-7f7bb9f0-9
0.410
MAR-TRE-4b834d9a-2
0.409
MAR-TRE-04c86cea-1
0.408
MAR-TRE-7f7bb9f0-5
0.406
MAR-TRE-3e4e6814-12
0.404
MAR-TRE-d0525fbf-39
0.404
MAR-TRE-b77b7921-23
0.404
MAR-TRE-4b834d9a-4
0.404
MAR-TRE-4b834d9a-13
0.402
MAR-TRE-3e4e6814-7
0.402
MAR-TRE-4b834d9a-6
0.402
MAR-TRE-4b834d9a-3
0.400
MAR-TRE-74c6519b-27
0.400
MAR-TRE-4b834d9a-5
0.398
MAR-TRE-f6f5f473-40
0.398
MAR-TRE-4b834d9a-10
0.396
MAR-TRE-3e4e6814-14
0.396
MAR-TRE-67513f76-18
0.396
MAR-TRE-b77b7921-27
0.394
MAR-TRE-4b834d9a-12
0.394
MAR-TRE-74c6519b-75
0.394
MAR-TRE-74c6519b-77
0.392
MAR-TRE-04c86cea-25
0.392
MAR-TRE-b77b7921-4
0.392
MAR-TRE-d0525fbf-41
0.390
MAR-TRE-4b834d9a-22
0.390
MAR-TRE-4b834d9a-36
0.390
MAR-TRE-d0525fbf-5
0.388
MAR-TRE-4b834d9a-37
0.388
MAR-TRE-4b834d9a-61
0.388
MAR-TRE-f6f5f473-26
0.386
MAR-TRE-04c86cea-21
0.385
MAR-TRE-f6f5f473-89
0.385
MAR-TRE-4b834d9a-47
0.384
MAR-TRE-d0525fbf-21
0.384