Molecular Properties | |
SMILES: | CCn1c(=O)c(=O)n(CC(=O)NCc2ccccc2C)c2cccnc21 |
MW: | 352.15 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 1.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2917081198 |
MolPort: | MolPort-010-669-971 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-4b834d9a-95
0.743
MAR-TRE-4b834d9a-33
0.724
MAR-TRE-d0525fbf-43
0.714
MAR-TRE-7f7bb9f0-85
0.671
MAR-TRE-3e4e6814-5
0.658
MAR-TRE-67513f76-27
0.654
MAR-TRE-4b834d9a-40
0.654
MAR-TRE-74c6519b-73
0.641
MAR-TRE-74c6519b-10
0.639
MAR-TRE-74c6519b-9
0.628
MAR-TRE-b77b7921-29
0.616
MAR-TRE-74c6519b-25
0.610
MAR-TRE-3e4e6814-90
0.595
MAR-TRE-f6f5f473-68
0.593
MAR-TRE-7f7bb9f0-39
0.590
MAR-TRE-4b834d9a-25
0.583
MAR-TRE-74c6519b-86
0.580
MAR-TRE-4b834d9a-55
0.554
MAR-TRE-9c797165-36
0.551
MAR-TRE-3e4e6814-3
0.530
MAR-TRE-4b834d9a-99
0.529
MAR-TRE-04c86cea-74
0.527
MAR-TRE-4b834d9a-8
0.523
MAR-TRE-04c86cea-12
0.521
MAR-TRE-7f7bb9f0-17
0.494
MAR-TRE-f6f5f473-66
0.489
MAR-TRE-4b834d9a-15
0.479
MAR-TRE-9c797165-25
0.473
MAR-TRE-d0525fbf-28
0.473
MAR-TRE-4b834d9a-7
0.471
MAR-TRE-67513f76-2
0.471
MAR-TRE-4b834d9a-93
0.469
MAR-TRE-4b834d9a-9
0.464
MAR-TRE-d0525fbf-23
0.462
MAR-TRE-b77b7921-54
0.460
MAR-TRE-d0525fbf-38
0.454
MAR-TRE-04c86cea-73
0.453
MAR-TRE-9c797165-40
0.451
MAR-TRE-b77b7921-23
0.443
MAR-TRE-04c86cea-69
0.441
MAR-TRE-b77b7921-11
0.440
MAR-TRE-d0525fbf-4
0.434
MAR-TRE-4b834d9a-39
0.433
MAR-TRE-f6f5f473-12
0.433
MAR-TRE-3e4e6814-12
0.430
MAR-TRE-d0525fbf-7
0.430
MAR-TRE-04c86cea-55
0.429
MAR-TRE-04c86cea-70
0.429
MAR-TRE-b77b7921-19
0.427
MAR-TRE-4b834d9a-37
0.427
MAR-TRE-d0525fbf-12
0.424
MAR-TRE-4b834d9a-76
0.423
MAR-TRE-67513f76-18
0.422
MAR-TRE-04c86cea-45
0.421
MAR-TRE-4b834d9a-2
0.419
MAR-TRE-b77b7921-4
0.417
MAR-TRE-7f7bb9f0-5
0.416
MAR-TRE-d0525fbf-41
0.414
MAR-TRE-3e4e6814-7
0.412
MAR-TRE-4b834d9a-54
0.412
MAR-TRE-4b834d9a-3
0.411
MAR-TRE-4b834d9a-47
0.408
MAR-TRE-9c797165-45
0.407
MAR-TRE-74c6519b-6
0.406
MAR-TRE-3e4e6814-14
0.406
MAR-TRE-d0525fbf-3
0.406
MAR-TRE-74c6519b-5
0.404
MAR-TRE-04c86cea-1
0.404
MAR-TRE-67513f76-91
0.402
MAR-TRE-4b834d9a-14
0.402
MAR-TRE-74c6519b-92
0.402
MAR-TRE-d0525fbf-39
0.400
MAR-TRE-f6f5f473-50
0.400
MAR-TRE-4b834d9a-6
0.398
MAR-TRE-b77b7921-2
0.394
MAR-TRE-7f7bb9f0-7
0.394
MAR-TRE-b77b7921-20
0.392
MAR-TRE-d0525fbf-11
0.392
MAR-TRE-74c6519b-8
0.390
MAR-TRE-b77b7921-27
0.390
MAR-TRE-b77b7921-3
0.390
MAR-TRE-4b834d9a-12
0.390
MAR-TRE-74c6519b-75
0.389
MAR-TRE-04c86cea-25
0.388
MAR-TRE-74c6519b-7
0.388
MAR-TRE-74c6519b-77
0.388
MAR-TRE-4b834d9a-4
0.386
MAR-TRE-4b834d9a-11
0.386
MAR-TRE-4b834d9a-21
0.386
MAR-TRE-b77b7921-43
0.386
MAR-TRE-4b834d9a-61
0.384
MAR-TRE-4b834d9a-84
0.383
MAR-TRE-f6f5f473-26
0.382
MAR-TRE-74c6519b-27
0.381
MAR-TRE-f6f5f473-34
0.381
MAR-TRE-f6f5f473-55
0.381
MAR-TRE-d0525fbf-21
0.380
MAR-TRE-4b834d9a-18
0.380
MAR-TRE-4b834d9a-5
0.380
MAR-TRE-f6f5f473-40
0.380