Molecular Properties | |
SMILES: | Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NCc3ccccc3F)c3cccnc32)cc1 |
MW: | 432.16 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 85.99 |
cLogP: | 2.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9170919034 |
MolPort: | MolPort-010-850-194 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-04c86cea-12
0.742
MAR-TRE-f6f5f473-66
0.723
MAR-TRE-04c86cea-73
0.705
MAR-TRE-4b834d9a-33
0.702
MAR-TRE-4b834d9a-99
0.632
MAR-TRE-f6f5f473-12
0.606
MAR-TRE-74c6519b-75
0.600
MAR-TRE-f6f5f473-40
0.579
MAR-TRE-4b834d9a-15
0.573
MAR-TRE-f6f5f473-54
0.562
MAR-TRE-74c6519b-73
0.556
MAR-TRE-4b834d9a-9
0.540
MAR-TRE-4b834d9a-95
0.533
MAR-TRE-04c86cea-45
0.531
MAR-TRE-4b834d9a-93
0.530
MAR-TRE-74c6519b-78
0.527
MAR-TRE-4b834d9a-54
0.520
MAR-TRE-f6f5f473-92
0.519
MAR-TRE-d0525fbf-3
0.510
MAR-TRE-04c86cea-55
0.505
MAR-TRE-d0525fbf-43
0.500
MAR-TRE-f6f5f473-26
0.500
MAR-TRE-3e4e6814-35
0.495
MAR-TRE-4b834d9a-51
0.486
MAR-TRE-4b834d9a-55
0.484
MAR-TRE-74c6519b-25
0.469
MAR-TRE-3e4e6814-5
0.468
MAR-TRE-b77b7921-20
0.467
MAR-TRE-f6f5f473-61
0.467
MAR-TRE-4b834d9a-25
0.450
MAR-TRE-7f7bb9f0-85
0.448
MAR-TRE-f6f5f473-68
0.447
MAR-TRE-f6f5f473-89
0.446
MAR-TRE-4b834d9a-8
0.444
MAR-TRE-74c6519b-6
0.441
MAR-TRE-d0525fbf-4
0.439
MAR-TRE-67513f76-27
0.439
MAR-TRE-4b834d9a-40
0.439
MAR-TRE-3e4e6814-4
0.435
MAR-TRE-04c86cea-70
0.434
MAR-TRE-74c6519b-30
0.433
MAR-TRE-3e4e6814-90
0.431
MAR-TRE-f6f5f473-34
0.431
MAR-TRE-74c6519b-5
0.425
MAR-TRE-74c6519b-10
0.423
MAR-TRE-74c6519b-59
0.419
MAR-TRE-f6f5f473-17
0.419
MAR-TRE-7f7bb9f0-39
0.417
MAR-TRE-f6f5f473-93
0.417
MAR-TRE-d0525fbf-38
0.417
MAR-TRE-b77b7921-11
0.416
MAR-TRE-4b834d9a-76
0.415
MAR-TRE-74c6519b-86
0.411
MAR-TRE-b77b7921-27
0.411
MAR-TRE-b77b7921-29
0.411
MAR-TRE-f6f5f473-43
0.410
MAR-TRE-7f7bb9f0-5
0.409
MAR-TRE-d0525fbf-7
0.409
MAR-TRE-3159af1a-5
0.408
MAR-TRE-74c6519b-9
0.407
MAR-TRE-b77b7921-54
0.404
MAR-TRE-d0525fbf-28
0.404
MAR-TRE-04c86cea-69
0.404
MAR-TRE-f6f5f473-55
0.404
MAR-TRE-74c6519b-40
0.404
MAR-TRE-d0525fbf-21
0.402
MAR-TRE-4b834d9a-18
0.402
MAR-TRE-3e4e6814-21
0.402
MAR-TRE-4b834d9a-5
0.402
MAR-TRE-3e4e6814-70
0.400
MAR-TRE-3e4e6814-71
0.398
MAR-TRE-4b834d9a-2
0.398
MAR-TRE-4b834d9a-14
0.396
MAR-TRE-b77b7921-69
0.396
MAR-TRE-d0525fbf-23
0.396
MAR-TRE-4b834d9a-39
0.396
MAR-TRE-b77b7921-19
0.395
MAR-TRE-b77b7921-23
0.394
MAR-TRE-d0525fbf-5
0.393
MAR-TRE-4b834d9a-6
0.393
MAR-TRE-9c797165-25
0.393
MAR-TRE-d0525fbf-12
0.391
MAR-TRE-04c86cea-88
0.391
MAR-TRE-f6f5f473-22
0.391
MAR-TRE-7f7bb9f0-17
0.390
MAR-TRE-d0525fbf-2
0.389
MAR-TRE-f6f5f473-88
0.389
MAR-TRE-7f7bb9f0-9
0.387
MAR-TRE-d0525fbf-11
0.387
MAR-TRE-3e4e6814-14
0.387
MAR-TRE-74c6519b-39
0.387
MAR-TRE-04c86cea-80
0.387
MAR-TRE-67513f76-2
0.386
MAR-TRE-4b834d9a-7
0.386
MAR-TRE-f6f5f473-42
0.386
MAR-TRE-74c6519b-36
0.385
MAR-TRE-f6f5f473-21
0.385
MAR-TRE-04c86cea-9
0.384
MAR-TRE-74c6519b-92
0.383
MAR-TRE-d0525fbf-39
0.382