Molecular Properties | |
SMILES: | CCn1c(=O)c(=O)n(CC(=O)NCc2ccccc2F)c2cccnc21 |
MW: | 356.13 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 1.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4393833521 |
MolPort: | MolPort-010-669-958 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-4b834d9a-95
0.733
MAR-TRE-4b834d9a-99
0.724
MAR-TRE-74c6519b-78
0.724
MAR-TRE-d0525fbf-43
0.705
MAR-TRE-04c86cea-74
0.702
MAR-TRE-3e4e6814-5
0.649
MAR-TRE-7f7bb9f0-85
0.641
MAR-TRE-4b834d9a-15
0.628
MAR-TRE-4b834d9a-40
0.625
MAR-TRE-4b834d9a-9
0.625
MAR-TRE-4b834d9a-25
0.614
MAR-TRE-74c6519b-73
0.613
MAR-TRE-67513f76-27
0.605
MAR-TRE-7f7bb9f0-39
0.603
MAR-TRE-74c6519b-25
0.602
MAR-TRE-04c86cea-45
0.600
MAR-TRE-f6f5f473-12
0.591
MAR-TRE-3e4e6814-90
0.588
MAR-TRE-4b834d9a-54
0.586
MAR-TRE-d0525fbf-3
0.571
MAR-TRE-9c797165-36
0.544
MAR-TRE-f6f5f473-26
0.543
MAR-TRE-4b834d9a-55
0.529
MAR-TRE-3e4e6814-3
0.524
MAR-TRE-4b834d9a-8
0.500
MAR-TRE-04c86cea-12
0.500
MAR-TRE-d0525fbf-4
0.474
MAR-TRE-9c797165-25
0.468
MAR-TRE-f6f5f473-66
0.467
MAR-TRE-04c86cea-73
0.463
MAR-TRE-b77b7921-27
0.458
MAR-TRE-74c6519b-10
0.457
MAR-TRE-7f7bb9f0-17
0.455
MAR-TRE-74c6519b-9
0.454
MAR-TRE-d0525fbf-28
0.452
MAR-TRE-d0525fbf-21
0.448
MAR-TRE-4b834d9a-76
0.448
MAR-TRE-b77b7921-20
0.444
MAR-TRE-74c6519b-86
0.443
MAR-TRE-b77b7921-29
0.443
MAR-TRE-d0525fbf-23
0.442
MAR-TRE-3159af1a-5
0.441
MAR-TRE-7f7bb9f0-5
0.440
MAR-TRE-b77b7921-54
0.438
MAR-TRE-04c86cea-69
0.436
MAR-TRE-4b834d9a-93
0.434
MAR-TRE-d0525fbf-38
0.434
MAR-TRE-4b834d9a-7
0.433
MAR-TRE-d0525fbf-2
0.431
MAR-TRE-4b834d9a-2
0.430
MAR-TRE-9c797165-40
0.430
MAR-TRE-7f7bb9f0-9
0.430
MAR-TRE-d0525fbf-7
0.426
MAR-TRE-4b834d9a-36
0.424
MAR-TRE-04c86cea-55
0.424
MAR-TRE-f6f5f473-68
0.423
MAR-TRE-d0525fbf-12
0.420
MAR-TRE-b77b7921-11
0.419
MAR-TRE-67513f76-2
0.418
MAR-TRE-d0525fbf-11
0.416
MAR-TRE-7f7bb9f0-22
0.414
MAR-TRE-4b834d9a-39
0.413
MAR-TRE-3e4e6814-4
0.412
MAR-TRE-04c86cea-9
0.412
MAR-TRE-b77b7921-43
0.410
MAR-TRE-04c86cea-70
0.410
MAR-TRE-b77b7921-19
0.410
MAR-TRE-7f7bb9f0-73
0.410
MAR-TRE-3e4e6814-19
0.406
MAR-TRE-7f7bb9f0-1
0.400
MAR-TRE-4b834d9a-14
0.398
MAR-TRE-f6f5f473-50
0.396
MAR-TRE-4b834d9a-11
0.396
MAR-TRE-b77b7921-23
0.396
MAR-TRE-3e4e6814-12
0.396
MAR-TRE-3e4e6814-7
0.394
MAR-TRE-4b834d9a-3
0.392
MAR-TRE-7f7bb9f0-7
0.390
MAR-TRE-4b834d9a-18
0.390
MAR-TRE-3e4e6814-14
0.388
MAR-TRE-67513f76-18
0.387
MAR-TRE-d0525fbf-44
0.387
MAR-TRE-d0525fbf-71
0.387
MAR-TRE-74c6519b-16
0.385
MAR-TRE-74c6519b-77
0.385
MAR-TRE-04c86cea-25
0.385
MAR-TRE-9c797165-23
0.384
MAR-TRE-b77b7921-4
0.384
MAR-TRE-d0525fbf-39
0.382
MAR-TRE-d0525fbf-41
0.382
MAR-TRE-4b834d9a-4
0.382
MAR-TRE-4b834d9a-21
0.382
MAR-TRE-d0525fbf-5
0.381
MAR-TRE-4b834d9a-20
0.381
MAR-TRE-4b834d9a-6
0.380
MAR-TRE-4b834d9a-37
0.380
MAR-TRE-3e4e6814-73
0.378
MAR-TRE-04c86cea-52
0.378
MAR-TRE-74c6519b-27
0.378
MAR-TRE-4b834d9a-5
0.376