Molecular Properties | |
SMILES: | Cn1c(=O)c(=O)n(CC(=O)NCc2ccccc2F)c2cccnc21 |
MW: | 342.11 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 85.99 |
cLogP: | 0.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6449982084 |
MolPort: | MolPort-010-669-901 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-4b834d9a-33
0.724
MAR-TRE-4b834d9a-55
0.720
MAR-TRE-4b834d9a-8
0.701
MAR-TRE-4b834d9a-15
0.635
MAR-TRE-d0525fbf-28
0.634
MAR-TRE-04c86cea-74
0.632
MAR-TRE-7f7bb9f0-17
0.628
MAR-TRE-4b834d9a-7
0.620
MAR-TRE-4b834d9a-9
0.614
MAR-TRE-9c797165-25
0.612
MAR-TRE-4b834d9a-2
0.610
MAR-TRE-b77b7921-54
0.608
MAR-TRE-04c86cea-45
0.607
MAR-TRE-67513f76-2
0.600
MAR-TRE-d0525fbf-23
0.600
MAR-TRE-f6f5f473-12
0.598
MAR-TRE-b77b7921-11
0.598
MAR-TRE-4b834d9a-54
0.593
MAR-TRE-4b834d9a-39
0.593
MAR-TRE-d0525fbf-3
0.578
MAR-TRE-f6f5f473-26
0.567
MAR-TRE-4b834d9a-3
0.558
MAR-TRE-9c797165-18
0.549
MAR-TRE-67513f76-18
0.542
MAR-TRE-d0525fbf-39
0.538
MAR-TRE-74c6519b-78
0.529
MAR-TRE-3e4e6814-1
0.518
MAR-TRE-4b834d9a-95
0.518
MAR-TRE-d0525fbf-43
0.500
MAR-TRE-67513f76-91
0.495
MAR-TRE-3e4e6814-72
0.489
MAR-TRE-74c6519b-10
0.478
MAR-TRE-7f7bb9f0-57
0.472
MAR-TRE-04c86cea-77
0.468
MAR-TRE-d0525fbf-4
0.464
MAR-TRE-74c6519b-86
0.463
MAR-TRE-b77b7921-29
0.463
MAR-TRE-3159af1a-5
0.462
MAR-TRE-74c6519b-9
0.458
MAR-TRE-3e4e6814-5
0.448
MAR-TRE-b77b7921-27
0.448
MAR-TRE-04c86cea-12
0.444
MAR-TRE-7f7bb9f0-5
0.444
MAR-TRE-7f7bb9f0-85
0.443
MAR-TRE-f6f5f473-68
0.442
MAR-TRE-d0525fbf-38
0.439
MAR-TRE-4b834d9a-76
0.438
MAR-TRE-d0525fbf-21
0.438
MAR-TRE-b77b7921-20
0.434
MAR-TRE-7f7bb9f0-9
0.434
MAR-TRE-4b834d9a-40
0.433
MAR-TRE-4b834d9a-25
0.430
MAR-TRE-4b834d9a-36
0.429
MAR-TRE-04c86cea-69
0.426
MAR-TRE-3e4e6814-19
0.424
MAR-TRE-9c797165-61
0.424
MAR-TRE-74c6519b-73
0.422
MAR-TRE-d0525fbf-2
0.422
MAR-TRE-74c6519b-25
0.419
MAR-TRE-7f7bb9f0-22
0.418
MAR-TRE-67513f76-27
0.418
MAR-TRE-3e4e6814-4
0.416
MAR-TRE-04c86cea-9
0.416
MAR-TRE-d0525fbf-7
0.416
MAR-TRE-b77b7921-23
0.414
MAR-TRE-04c86cea-70
0.414
MAR-TRE-b77b7921-19
0.413
MAR-TRE-3e4e6814-90
0.411
MAR-TRE-d0525fbf-12
0.410
MAR-TRE-7f7bb9f0-39
0.409
MAR-TRE-f6f5f473-66
0.409
MAR-TRE-04c86cea-73
0.408
MAR-TRE-d0525fbf-11
0.406
MAR-TRE-7f7bb9f0-1
0.404
MAR-TRE-4b834d9a-14
0.402
MAR-TRE-74c6519b-16
0.402
MAR-TRE-04c86cea-25
0.402
MAR-TRE-3e4e6814-12
0.400
MAR-TRE-b77b7921-43
0.400
MAR-TRE-f6f5f473-50
0.400
MAR-TRE-d0525fbf-5
0.398
MAR-TRE-4b834d9a-93
0.396
MAR-TRE-4b834d9a-18
0.394
MAR-TRE-7f7bb9f0-7
0.394
MAR-TRE-4b834d9a-85
0.392
MAR-TRE-3e4e6814-14
0.392
MAR-TRE-d0525fbf-100
0.390
MAR-TRE-7f7bb9f0-73
0.387
MAR-TRE-4b834d9a-11
0.386
MAR-TRE-4b834d9a-21
0.386
MAR-TRE-4b834d9a-6
0.384
MAR-TRE-4b834d9a-37
0.384
MAR-TRE-3e4e6814-7
0.384
MAR-TRE-3e4e6814-73
0.381
MAR-TRE-74c6519b-27
0.381
MAR-TRE-04c86cea-52
0.381
MAR-TRE-4b834d9a-47
0.380
MAR-TRE-4b834d9a-5
0.380
MAR-TRE-b77b7921-2
0.380
MAR-TRE-4b834d9a-60
0.379