Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NCc3cccc(F)c3)c3cccnc3n12 |
MW: | 366.12 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9821147304 |
MolPort: | MolPort-010-907-042 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-4b834d9a-12
0.795
MAR-TRE-74c6519b-8
0.795
MAR-TRE-7f7bb9f0-7
0.783
MAR-TRE-4b834d9a-20
0.770
MAR-TRE-4b834d9a-14
0.759
MAR-TRE-3e4e6814-12
0.744
MAR-TRE-b77b7921-2
0.741
MAR-TRE-d0525fbf-5
0.730
MAR-TRE-b77b7921-4
0.718
MAR-TRE-d0525fbf-4
0.708
MAR-TRE-74c6519b-6
0.706
MAR-TRE-d0525fbf-7
0.700
MAR-TRE-b77b7921-3
0.693
MAR-TRE-4b834d9a-6
0.690
MAR-TRE-7f7bb9f0-5
0.681
MAR-TRE-04c86cea-1
0.674
MAR-TRE-9c797165-45
0.663
MAR-TRE-4b834d9a-15
0.656
MAR-TRE-4b834d9a-2
0.651
MAR-TRE-4b834d9a-25
0.644
MAR-TRE-74c6519b-10
0.640
MAR-TRE-4b834d9a-37
0.633
MAR-TRE-b77b7921-23
0.630
MAR-TRE-4b834d9a-84
0.628
MAR-TRE-9c797165-74
0.614
MAR-TRE-74c6519b-7
0.611
MAR-TRE-4b834d9a-10
0.600
MAR-TRE-9c797165-15
0.600
MAR-TRE-67513f76-94
0.598
MAR-TRE-b77b7921-16
0.593
MAR-TRE-9c797165-89
0.591
MAR-TRE-4b834d9a-11
0.579
MAR-TRE-3e4e6814-7
0.564
MAR-TRE-74c6519b-71
0.560
MAR-TRE-3e4e6814-36
0.559
MAR-TRE-04c86cea-60
0.558
MAR-TRE-4b834d9a-69
0.558
MAR-TRE-f6f5f473-22
0.557
MAR-TRE-b77b7921-61
0.556
MAR-TRE-b77b7921-93
0.548
MAR-TRE-74c6519b-5
0.536
MAR-TRE-04c86cea-72
0.531
MAR-TRE-d0525fbf-8
0.525
MAR-TRE-f6f5f473-45
0.520
MAR-TRE-4b834d9a-4
0.515
MAR-TRE-7f7bb9f0-29
0.505
MAR-TRE-74c6519b-9
0.500
MAR-TRE-b77b7921-11
0.500
MAR-TRE-74c6519b-25
0.495
MAR-TRE-4b834d9a-9
0.490
MAR-TRE-d0525fbf-41
0.471
MAR-TRE-4b834d9a-22
0.471
MAR-TRE-4b834d9a-3
0.469
MAR-TRE-74c6519b-70
0.466
MAR-TRE-74c6519b-27
0.455
MAR-TRE-4b834d9a-18
0.451
MAR-TRE-3e4e6814-5
0.447
MAR-TRE-b77b7921-22
0.447
MAR-TRE-d0525fbf-22
0.443
MAR-TRE-b77b7921-8
0.439
MAR-TRE-04c86cea-73
0.437
MAR-TRE-3e4e6814-14
0.436
MAR-TRE-d0525fbf-68
0.435
MAR-TRE-7f7bb9f0-34
0.434
MAR-TRE-b77b7921-54
0.427
MAR-TRE-74c6519b-73
0.423
MAR-TRE-f6f5f473-72
0.421
MAR-TRE-d0525fbf-11
0.421
MAR-TRE-7f7bb9f0-9
0.421
MAR-TRE-b77b7921-10
0.420
MAR-TRE-b77b7921-7
0.417
MAR-TRE-04c86cea-4
0.415
MAR-TRE-4b834d9a-13
0.413
MAR-TRE-d0525fbf-70
0.413
MAR-TRE-3e4e6814-73
0.412
MAR-TRE-f6f5f473-66
0.410
MAR-TRE-4b834d9a-87
0.410
MAR-TRE-f6f5f473-96
0.407
MAR-TRE-04c86cea-58
0.407
MAR-TRE-b77b7921-29
0.406
MAR-TRE-4b834d9a-39
0.404
MAR-TRE-d0525fbf-6
0.404
MAR-TRE-3e4e6814-2
0.404
MAR-TRE-d0525fbf-39
0.402
MAR-TRE-04c86cea-6
0.402
MAR-TRE-74c6519b-30
0.400
MAR-TRE-04c86cea-33
0.400
MAR-TRE-f6f5f473-17
0.400
MAR-TRE-04c86cea-52
0.398
MAR-TRE-4b834d9a-5
0.396
MAR-TRE-4b834d9a-60
0.396
MAR-TRE-f6f5f473-94
0.394
MAR-TRE-04c86cea-20
0.389
MAR-TRE-04c86cea-63
0.387
MAR-TRE-4b834d9a-99
0.386
MAR-TRE-74c6519b-78
0.386
MAR-TRE-7f7bb9f0-70
0.385
MAR-TRE-74c6519b-45
0.385
MAR-TRE-7f7bb9f0-3
0.385
MAR-TRE-f6f5f473-55
0.385