Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NCc3ccc(F)c(Cl)c3)c3cccnc3n12 |
MW: | 400.09 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2578502106 |
MolPort: | MolPort-010-907-078 |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-4b834d9a-12
0.759
MAR-TRE-4b834d9a-6
0.756
MAR-TRE-4b834d9a-21
0.730
MAR-TRE-b77b7921-2
0.727
MAR-TRE-4b834d9a-14
0.724
MAR-TRE-7f7bb9f0-7
0.708
MAR-TRE-74c6519b-8
0.700
MAR-TRE-74c6519b-6
0.693
MAR-TRE-3e4e6814-12
0.690
MAR-TRE-b77b7921-4
0.685
MAR-TRE-b77b7921-3
0.681
MAR-TRE-04c86cea-1
0.681
MAR-TRE-d0525fbf-7
0.670
MAR-TRE-7f7bb9f0-5
0.653
MAR-TRE-4b834d9a-15
0.645
MAR-TRE-d0525fbf-4
0.642
MAR-TRE-9c797165-45
0.632
MAR-TRE-74c6519b-10
0.613
MAR-TRE-4b834d9a-37
0.606
MAR-TRE-b77b7921-23
0.604
MAR-TRE-4b834d9a-84
0.600
MAR-TRE-9c797165-74
0.587
MAR-TRE-b77b7921-16
0.585
MAR-TRE-4b834d9a-10
0.576
MAR-TRE-9c797165-15
0.573
MAR-TRE-4b834d9a-4
0.571
MAR-TRE-9c797165-89
0.565
MAR-TRE-4b834d9a-20
0.564
MAR-TRE-4b834d9a-11
0.556
MAR-TRE-67513f76-94
0.554
MAR-TRE-b77b7921-93
0.542
MAR-TRE-74c6519b-7
0.539
MAR-TRE-74c6519b-71
0.537
MAR-TRE-b77b7921-61
0.534
MAR-TRE-74c6519b-5
0.530
MAR-TRE-3e4e6814-7
0.525
MAR-TRE-3e4e6814-36
0.520
MAR-TRE-7f7bb9f0-29
0.500
MAR-TRE-4b834d9a-9
0.486
MAR-TRE-74c6519b-9
0.481
MAR-TRE-4b834d9a-2
0.475
MAR-TRE-4b834d9a-13
0.466
MAR-TRE-4b834d9a-25
0.455
MAR-TRE-d0525fbf-41
0.453
MAR-TRE-4b834d9a-22
0.453
MAR-TRE-b77b7921-11
0.450
MAR-TRE-4b834d9a-5
0.448
MAR-TRE-b77b7921-22
0.443
MAR-TRE-4b834d9a-18
0.434
MAR-TRE-04c86cea-73
0.434
MAR-TRE-74c6519b-25
0.431
MAR-TRE-7f7bb9f0-34
0.431
MAR-TRE-04c86cea-4
0.426
MAR-TRE-b77b7921-54
0.424
MAR-TRE-b77b7921-8
0.423
MAR-TRE-4b834d9a-3
0.423
MAR-TRE-74c6519b-27
0.423
MAR-TRE-f6f5f473-66
0.422
MAR-TRE-74c6519b-73
0.420
MAR-TRE-d0525fbf-11
0.418
MAR-TRE-4b834d9a-39
0.416
MAR-TRE-b77b7921-5
0.414
MAR-TRE-3e4e6814-5
0.414
MAR-TRE-d0525fbf-39
0.413
MAR-TRE-4b834d9a-35
0.411
MAR-TRE-d0525fbf-70
0.411
MAR-TRE-3e4e6814-14
0.406
MAR-TRE-7f7bb9f0-9
0.405
MAR-TRE-f6f5f473-96
0.405
MAR-TRE-4b834d9a-55
0.402
MAR-TRE-b77b7921-7
0.402
MAR-TRE-d0525fbf-22
0.402
MAR-TRE-4b834d9a-99
0.398
MAR-TRE-f6f5f473-22
0.396
MAR-TRE-74c6519b-45
0.396
MAR-TRE-74c6519b-70
0.396
MAR-TRE-04c86cea-21
0.396
MAR-TRE-4b834d9a-69
0.394
MAR-TRE-04c86cea-60
0.394
MAR-TRE-04c86cea-74
0.393
MAR-TRE-f6f5f473-45
0.393
MAR-TRE-b77b7921-29
0.391
MAR-TRE-f6f5f473-16
0.391
MAR-TRE-d0525fbf-6
0.389
MAR-TRE-b77b7921-48
0.389
MAR-TRE-4b834d9a-95
0.388
MAR-TRE-04c86cea-72
0.387
MAR-TRE-74c6519b-30
0.385
MAR-TRE-04c86cea-36
0.385
MAR-TRE-f6f5f473-17
0.385
MAR-TRE-04c86cea-52
0.383
MAR-TRE-d0525fbf-68
0.383
MAR-TRE-4b834d9a-87
0.382
MAR-TRE-b77b7921-10
0.381
MAR-TRE-4b834d9a-60
0.381
MAR-TRE-4b834d9a-33
0.381
MAR-TRE-f6f5f473-72
0.381
MAR-TRE-67513f76-2
0.379
MAR-TRE-d0525fbf-9
0.378
MAR-TRE-04c86cea-6
0.375