Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NCc3cc(F)ccc3F)c3cccnc3n12 |
MW: | 384.11 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5240424246 |
MolPort: | MolPort-010-907-049 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-d0525fbf-4
0.761
MAR-TRE-d0525fbf-7
0.753
MAR-TRE-4b834d9a-15
0.727
MAR-TRE-4b834d9a-14
0.693
MAR-TRE-4b834d9a-21
0.681
MAR-TRE-7f7bb9f0-7
0.678
MAR-TRE-74c6519b-10
0.674
MAR-TRE-b77b7921-23
0.663
MAR-TRE-d0525fbf-5
0.653
MAR-TRE-4b834d9a-6
0.648
MAR-TRE-b77b7921-2
0.641
MAR-TRE-3e4e6814-12
0.640
MAR-TRE-9c797165-45
0.640
MAR-TRE-b77b7921-4
0.637
MAR-TRE-4b834d9a-12
0.634
MAR-TRE-74c6519b-8
0.634
MAR-TRE-7f7bb9f0-9
0.632
MAR-TRE-4b834d9a-37
0.630
MAR-TRE-74c6519b-6
0.626
MAR-TRE-4b834d9a-84
0.625
MAR-TRE-b77b7921-3
0.617
MAR-TRE-04c86cea-1
0.600
MAR-TRE-9c797165-74
0.593
MAR-TRE-b77b7921-16
0.591
MAR-TRE-9c797165-15
0.580
MAR-TRE-67513f76-94
0.578
MAR-TRE-7f7bb9f0-22
0.567
MAR-TRE-4b834d9a-36
0.561
MAR-TRE-3e4e6814-4
0.560
MAR-TRE-74c6519b-71
0.559
MAR-TRE-9c797165-89
0.554
MAR-TRE-4b834d9a-9
0.550
MAR-TRE-b77b7921-93
0.547
MAR-TRE-3e4e6814-19
0.540
MAR-TRE-74c6519b-9
0.530
MAR-TRE-4b834d9a-11
0.530
MAR-TRE-74c6519b-16
0.529
MAR-TRE-7f7bb9f0-1
0.529
MAR-TRE-3e4e6814-36
0.526
MAR-TRE-4b834d9a-20
0.524
MAR-TRE-b77b7921-61
0.524
MAR-TRE-7f7bb9f0-29
0.490
MAR-TRE-74c6519b-7
0.486
MAR-TRE-4b834d9a-4
0.485
MAR-TRE-3e4e6814-7
0.485
MAR-TRE-d0525fbf-11
0.476
MAR-TRE-4b834d9a-10
0.476
MAR-TRE-74c6519b-5
0.476
MAR-TRE-d0525fbf-41
0.471
MAR-TRE-b77b7921-22
0.448
MAR-TRE-4b834d9a-99
0.444
MAR-TRE-4b834d9a-33
0.440
MAR-TRE-7f7bb9f0-34
0.435
MAR-TRE-b77b7921-29
0.434
MAR-TRE-4b834d9a-2
0.422
MAR-TRE-4b834d9a-25
0.417
MAR-TRE-74c6519b-78
0.416
MAR-TRE-4b834d9a-8
0.412
MAR-TRE-d0525fbf-21
0.411
MAR-TRE-4b834d9a-18
0.411
MAR-TRE-b77b7921-20
0.409
MAR-TRE-04c86cea-74
0.409
MAR-TRE-d0525fbf-43
0.408
MAR-TRE-74c6519b-86
0.407
MAR-TRE-b77b7921-27
0.407
MAR-TRE-4b834d9a-55
0.406
MAR-TRE-4b834d9a-95
0.406
MAR-TRE-b77b7921-43
0.404
MAR-TRE-9c797165-25
0.402
MAR-TRE-4b834d9a-54
0.402
MAR-TRE-d0525fbf-28
0.400
MAR-TRE-d0525fbf-38
0.400
MAR-TRE-04c86cea-73
0.398
MAR-TRE-04c86cea-9
0.393
MAR-TRE-b77b7921-7
0.393
MAR-TRE-d0525fbf-23
0.393
MAR-TRE-7f7bb9f0-73
0.391
MAR-TRE-b77b7921-19
0.391
MAR-TRE-4b834d9a-13
0.389
MAR-TRE-74c6519b-27
0.387
MAR-TRE-d0525fbf-2
0.386
MAR-TRE-4b834d9a-76
0.385
MAR-TRE-4b834d9a-87
0.385
MAR-TRE-b77b7921-11
0.385
MAR-TRE-04c86cea-45
0.383
MAR-TRE-d0525fbf-44
0.383
MAR-TRE-d0525fbf-71
0.383
MAR-TRE-f6f5f473-12
0.382
MAR-TRE-74c6519b-25
0.381
MAR-TRE-04c86cea-12
0.381
MAR-TRE-3e4e6814-5
0.376
MAR-TRE-4b834d9a-61
0.376
MAR-TRE-74c6519b-70
0.375
MAR-TRE-f6f5f473-26
0.375
MAR-TRE-4b834d9a-5
0.373
MAR-TRE-4b834d9a-69
0.373
MAR-TRE-7f7bb9f0-85
0.373
MAR-TRE-b77b7921-54
0.373
MAR-TRE-7f7bb9f0-17
0.373
MAR-TRE-3e4e6814-14
0.370