Molecular Properties | |
SMILES: | Cc1nnc2c(=O)n(CC(=O)NCC3CCCCC3)c3cccnc3n12 |
MW: | 354.18 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-4b834d9a-84
0.875
MAR-TRE-b77b7921-22
0.756
MAR-TRE-b77b7921-93
0.716
MAR-TRE-74c6519b-71
0.691
MAR-TRE-9c797165-45
0.684
MAR-TRE-67513f76-94
0.675
MAR-TRE-9c797165-74
0.671
MAR-TRE-3e4e6814-12
0.643
MAR-TRE-9c797165-15
0.637
MAR-TRE-74c6519b-6
0.628
MAR-TRE-b77b7921-4
0.621
MAR-TRE-74c6519b-10
0.621
MAR-TRE-4b834d9a-14
0.621
MAR-TRE-4b834d9a-6
0.614
MAR-TRE-4b834d9a-37
0.614
MAR-TRE-9c797165-89
0.607
MAR-TRE-b77b7921-2
0.607
MAR-TRE-7f7bb9f0-7
0.607
MAR-TRE-b77b7921-61
0.602
MAR-TRE-4b834d9a-12
0.600
MAR-TRE-4b834d9a-15
0.600
MAR-TRE-04c86cea-1
0.600
MAR-TRE-74c6519b-8
0.600
MAR-TRE-b77b7921-3
0.600
MAR-TRE-4b834d9a-21
0.593
MAR-TRE-b77b7921-23
0.593
MAR-TRE-7f7bb9f0-5
0.591
MAR-TRE-d0525fbf-5
0.585
MAR-TRE-d0525fbf-4
0.581
MAR-TRE-d0525fbf-7
0.574
MAR-TRE-3e4e6814-36
0.573
MAR-TRE-7f7bb9f0-34
0.564
MAR-TRE-7f7bb9f0-29
0.552
MAR-TRE-f6f5f473-53
0.533
MAR-TRE-b77b7921-59
0.505
MAR-TRE-74c6519b-9
0.480
MAR-TRE-3e4e6814-7
0.479
MAR-TRE-74c6519b-5
0.469
MAR-TRE-4b834d9a-11
0.465
MAR-TRE-74c6519b-7
0.451
MAR-TRE-4b834d9a-4
0.450
MAR-TRE-d0525fbf-41
0.450
MAR-TRE-4b834d9a-20
0.447
MAR-TRE-4b834d9a-9
0.441
MAR-TRE-4b834d9a-10
0.441
MAR-TRE-4b834d9a-87
0.416
MAR-TRE-67513f76-91
0.410
MAR-TRE-3e4e6814-60
0.394
MAR-TRE-67513f76-62
0.381
MAR-TRE-f6f5f473-89
0.376
MAR-TRE-f6f5f473-88
0.375
MAR-TRE-7f7bb9f0-39
0.372
MAR-TRE-b77b7921-29
0.371
MAR-TRE-67513f76-2
0.371
MAR-TRE-f6f5f473-82
0.369
MAR-TRE-67513f76-27
0.367
MAR-TRE-74c6519b-3
0.366
MAR-TRE-f6f5f473-70
0.365
MAR-TRE-3e4e6814-5
0.365
MAR-TRE-74c6519b-78
0.364
MAR-TRE-74c6519b-27
0.363
MAR-TRE-f6f5f473-54
0.362
MAR-TRE-f6f5f473-72
0.361
MAR-TRE-74c6519b-61
0.360
MAR-TRE-04c86cea-25
0.358
MAR-TRE-74c6519b-73
0.357
MAR-TRE-f6f5f473-43
0.356
MAR-TRE-04c86cea-6
0.355
MAR-TRE-4b834d9a-39
0.354
MAR-TRE-f6f5f473-45
0.349
MAR-TRE-f6f5f473-96
0.349
MAR-TRE-f6f5f473-62
0.349
MAR-TRE-7f7bb9f0-85
0.347
MAR-TRE-b77b7921-54
0.347
MAR-TRE-7f7bb9f0-17
0.347
MAR-TRE-f6f5f473-66
0.347
MAR-TRE-4b834d9a-8
0.347
MAR-TRE-b77b7921-11
0.347
MAR-TRE-3e4e6814-14
0.346
MAR-TRE-f6f5f473-16
0.346
MAR-TRE-d0525fbf-100
0.346
MAR-TRE-04c86cea-56
0.346
MAR-TRE-04c86cea-27
0.345
MAR-TRE-b77b7921-7
0.345
MAR-TRE-04c86cea-20
0.345
MAR-TRE-b77b7921-19
0.345
MAR-TRE-67513f76-18
0.343
MAR-TRE-4b834d9a-7
0.343
MAR-TRE-d0525fbf-43
0.343
MAR-TRE-4b834d9a-2
0.343
MAR-TRE-74c6519b-25
0.343
MAR-TRE-74c6519b-75
0.343
MAR-TRE-f6f5f473-50
0.343
MAR-TRE-04c86cea-4
0.343
MAR-TRE-04c86cea-89
0.342
MAR-TRE-b77b7921-8
0.342
MAR-TRE-4b834d9a-40
0.340
MAR-TRE-4b834d9a-55
0.340
MAR-TRE-4b834d9a-95
0.340
MAR-TRE-4b834d9a-25
0.340