Molecular Properties | |
SMILES: | CC[C@H](C)NC(=O)Cn1c(=O)c2nnc(C)n2c2ncccc21 |
MW: | 314.15 |
Fraction sp3: | 0.4 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 0.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-3e4e6814-36
0.709
MAR-TRE-9c797165-45
0.707
MAR-TRE-9c797165-15
0.680
MAR-TRE-67513f76-94
0.654
MAR-TRE-4b834d9a-84
0.646
MAR-TRE-b77b7921-4
0.639
MAR-TRE-9c797165-74
0.630
MAR-TRE-74c6519b-71
0.630
MAR-TRE-3e4e6814-12
0.622
MAR-TRE-4b834d9a-12
0.616
MAR-TRE-04c86cea-1
0.616
MAR-TRE-b77b7921-93
0.614
MAR-TRE-74c6519b-6
0.607
MAR-TRE-b77b7921-16
0.607
MAR-TRE-4b834d9a-14
0.600
MAR-TRE-74c6519b-10
0.600
MAR-TRE-74c6519b-8
0.598
MAR-TRE-4b834d9a-37
0.593
MAR-TRE-4b834d9a-6
0.593
MAR-TRE-9c797165-36
0.592
MAR-TRE-4b834d9a-21
0.591
MAR-TRE-7f7bb9f0-7
0.586
MAR-TRE-b77b7921-2
0.586
MAR-TRE-7f7bb9f0-29
0.585
MAR-TRE-4b834d9a-15
0.580
MAR-TRE-b77b7921-3
0.580
MAR-TRE-b77b7921-23
0.573
MAR-TRE-4b834d9a-87
0.568
MAR-TRE-b77b7921-61
0.565
MAR-TRE-d0525fbf-5
0.565
MAR-TRE-d0525fbf-4
0.560
MAR-TRE-7f7bb9f0-5
0.554
MAR-TRE-d0525fbf-7
0.554
MAR-TRE-3e4e6814-7
0.505
MAR-TRE-74c6519b-9
0.505
MAR-TRE-4b834d9a-10
0.495
MAR-TRE-b77b7921-22
0.495
MAR-TRE-74c6519b-5
0.495
MAR-TRE-74c6519b-7
0.490
MAR-TRE-4b834d9a-11
0.489
MAR-TRE-4b834d9a-20
0.485
MAR-TRE-7f7bb9f0-34
0.479
MAR-TRE-d0525fbf-41
0.474
MAR-TRE-4b834d9a-4
0.474
MAR-TRE-4b834d9a-9
0.464
MAR-TRE-7f7bb9f0-57
0.424
MAR-TRE-3e4e6814-76
0.417
MAR-TRE-3e4e6814-3
0.411
MAR-TRE-3e4e6814-1
0.400
MAR-TRE-3e4e6814-69
0.378
MAR-TRE-f6f5f473-40
0.366
MAR-TRE-f6f5f473-92
0.364
MAR-TRE-b77b7921-29
0.363
MAR-TRE-04c86cea-4
0.359
MAR-TRE-3e4e6814-5
0.355
MAR-TRE-74c6519b-78
0.354
MAR-TRE-74c6519b-27
0.354
MAR-TRE-7f7bb9f0-85
0.351
MAR-TRE-b77b7921-54
0.351
MAR-TRE-b77b7921-90
0.350
MAR-TRE-7f7bb9f0-39
0.348
MAR-TRE-74c6519b-73
0.347
MAR-TRE-74c6519b-25
0.347
MAR-TRE-4b834d9a-22
0.346
MAR-TRE-67513f76-27
0.344
MAR-TRE-4b834d9a-95
0.344
MAR-TRE-4b834d9a-25
0.343
MAR-TRE-9c797165-18
0.341
MAR-TRE-b77b7921-100
0.340
MAR-TRE-7f7bb9f0-17
0.337
MAR-TRE-b77b7921-11
0.337
MAR-TRE-3e4e6814-14
0.337
MAR-TRE-7f7bb9f0-93
0.337
MAR-TRE-d0525fbf-100
0.337
MAR-TRE-4b834d9a-2
0.333
MAR-TRE-74c6519b-72
0.333
MAR-TRE-67513f76-2
0.333
MAR-TRE-f6f5f473-44
0.330
MAR-TRE-4b834d9a-61
0.330
MAR-TRE-4b834d9a-13
0.330
MAR-TRE-74c6519b-3
0.330
MAR-TRE-4b834d9a-55
0.330
MAR-TRE-4b834d9a-40
0.330
MAR-TRE-b77b7921-68
0.327
MAR-TRE-d0525fbf-89
0.327
MAR-TRE-74c6519b-60
0.327
MAR-TRE-4b834d9a-18
0.327
MAR-TRE-b77b7921-98
0.327
MAR-TRE-3e4e6814-90
0.327
ALE-UNK-fca05062-5
0.325
MAR-TRE-67513f76-52
0.324
MAR-TRE-9c797165-92
0.324
MAR-TRE-4b834d9a-33
0.323
MAR-TRE-f6f5f473-66
0.323
MAR-TRE-04c86cea-57
0.321
MAR-TRE-67513f76-91
0.320
MAR-TRE-9c797165-40
0.320
MAR-TRE-d0525fbf-43
0.320
MAR-TRE-74c6519b-75
0.320
MAR-TRE-67513f76-18
0.320