Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NCc3ccc(F)cc3)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-7651456721 |
MolPort: | MolPort-010-907-072 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-74c6519b-6
0.831
MAR-TRE-b77b7921-4
0.821
MAR-TRE-b77b7921-3
0.812
MAR-TRE-4b834d9a-6
0.810
MAR-TRE-3e4e6814-12
0.805
MAR-TRE-04c86cea-1
0.790
MAR-TRE-7f7bb9f0-7
0.778
MAR-TRE-4b834d9a-21
0.759
MAR-TRE-4b834d9a-11
0.759
MAR-TRE-b77b7921-2
0.735
MAR-TRE-d0525fbf-5
0.724
MAR-TRE-4b834d9a-12
0.706
MAR-TRE-74c6519b-8
0.706
MAR-TRE-d0525fbf-4
0.701
MAR-TRE-9c797165-45
0.696
MAR-TRE-d0525fbf-7
0.693
MAR-TRE-7f7bb9f0-5
0.693
MAR-TRE-4b834d9a-15
0.686
MAR-TRE-4b834d9a-37
0.682
MAR-TRE-74c6519b-10
0.671
MAR-TRE-4b834d9a-84
0.659
MAR-TRE-9c797165-74
0.643
MAR-TRE-b77b7921-23
0.640
MAR-TRE-9c797165-15
0.630
MAR-TRE-74c6519b-5
0.629
MAR-TRE-b77b7921-16
0.621
MAR-TRE-67513f76-94
0.607
MAR-TRE-3e4e6814-7
0.607
MAR-TRE-4b834d9a-4
0.604
MAR-TRE-9c797165-89
0.600
MAR-TRE-74c6519b-71
0.586
MAR-TRE-04c86cea-73
0.582
MAR-TRE-4b834d9a-18
0.582
MAR-TRE-4b834d9a-20
0.579
MAR-TRE-b77b7921-61
0.579
MAR-TRE-b77b7921-93
0.573
MAR-TRE-3e4e6814-36
0.567
MAR-TRE-4b834d9a-60
0.539
MAR-TRE-04c86cea-52
0.538
MAR-TRE-f6f5f473-17
0.538
MAR-TRE-b77b7921-7
0.536
MAR-TRE-74c6519b-7
0.536
MAR-TRE-7f7bb9f0-29
0.528
MAR-TRE-4b834d9a-10
0.526
MAR-TRE-74c6519b-9
0.521
MAR-TRE-d0525fbf-37
0.510
MAR-TRE-4b834d9a-9
0.510
MAR-TRE-74c6519b-73
0.506
MAR-TRE-74c6519b-30
0.505
MAR-TRE-04c86cea-63
0.505
MAR-TRE-d0525fbf-41
0.505
MAR-TRE-b77b7921-54
0.494
MAR-TRE-f6f5f473-66
0.489
MAR-TRE-4b834d9a-39
0.484
MAR-TRE-3e4e6814-5
0.483
MAR-TRE-04c86cea-4
0.475
MAR-TRE-4b834d9a-13
0.474
MAR-TRE-4b834d9a-35
0.474
MAR-TRE-74c6519b-27
0.474
MAR-TRE-3e4e6814-73
0.474
MAR-TRE-4b834d9a-2
0.468
MAR-TRE-04c86cea-2
0.465
MAR-TRE-b77b7921-22
0.465
MAR-TRE-4b834d9a-25
0.463
MAR-TRE-4b834d9a-5
0.455
MAR-TRE-3e4e6814-14
0.454
MAR-TRE-67513f76-11
0.454
MAR-TRE-7f7bb9f0-34
0.451
MAR-TRE-d0525fbf-1
0.446
MAR-TRE-f6f5f473-34
0.443
MAR-TRE-74c6519b-1
0.441
MAR-TRE-74c6519b-2
0.437
MAR-TRE-b77b7921-6
0.433
MAR-TRE-d0525fbf-70
0.429
MAR-TRE-74c6519b-70
0.427
MAR-TRE-b77b7921-11
0.427
MAR-TRE-4b834d9a-69
0.426
MAR-TRE-f6f5f473-94
0.426
MAR-TRE-74c6519b-25
0.423
MAR-TRE-f6f5f473-43
0.420
MAR-TRE-b77b7921-5
0.419
MAR-TRE-04c86cea-6
0.417
MAR-TRE-f6f5f473-20
0.414
MAR-TRE-04c86cea-21
0.414
MAR-TRE-f6f5f473-55
0.414
MAR-TRE-7f7bb9f0-70
0.413
MAR-TRE-4b834d9a-87
0.412
MAR-TRE-3e4e6814-21
0.412
MAR-TRE-f6f5f473-88
0.412
MAR-TRE-d0525fbf-11
0.410
MAR-TRE-7f7bb9f0-9
0.410
MAR-TRE-b77b7921-29
0.408
MAR-TRE-74c6519b-86
0.408
MAR-TRE-4b834d9a-22
0.404
MAR-TRE-74c6519b-78
0.402
MAR-TRE-4b834d9a-99
0.402
MAR-TRE-4b834d9a-3
0.400
MAR-TRE-f6f5f473-22
0.400
MAR-TRE-d0525fbf-68
0.398
MAR-TRE-9c797165-85
0.398