Molecular Properties | |
SMILES: | CCc1nnc2c(=O)n(CC(=O)N[C@@H](C)c3ccccc3)c3cccnc3n12 |
MW: | 376.16 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 94.18 |
cLogP: | 1.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-3e4e6814-36
0.744
MAR-TRE-3e4e6814-7
0.648
MAR-TRE-3e4e6814-3
0.607
MAR-TRE-3e4e6814-1
0.595
MAR-TRE-74c6519b-9
0.591
MAR-TRE-3e4e6814-76
0.582
MAR-TRE-74c6519b-5
0.581
MAR-TRE-b77b7921-22
0.581
MAR-TRE-7f7bb9f0-34
0.579
MAR-TRE-4b834d9a-9
0.579
MAR-TRE-4b834d9a-10
0.579
MAR-TRE-d0525fbf-41
0.574
MAR-TRE-4b834d9a-4
0.574
MAR-TRE-4b834d9a-11
0.574
MAR-TRE-74c6519b-7
0.573
MAR-TRE-9c797165-89
0.568
MAR-TRE-4b834d9a-20
0.567
MAR-TRE-f6f5f473-40
0.521
MAR-TRE-9c797165-45
0.495
MAR-TRE-9c797165-15
0.473
MAR-TRE-3e4e6814-12
0.469
MAR-TRE-67513f76-94
0.457
MAR-TRE-b77b7921-98
0.446
MAR-TRE-74c6519b-71
0.443
MAR-TRE-04c86cea-1
0.441
MAR-TRE-b77b7921-4
0.440
MAR-TRE-74c6519b-10
0.440
MAR-TRE-4b834d9a-84
0.438
MAR-TRE-b77b7921-93
0.434
MAR-TRE-9c797165-36
0.433
MAR-TRE-9c797165-74
0.429
MAR-TRE-7f7bb9f0-7
0.417
MAR-TRE-b77b7921-2
0.417
MAR-TRE-b77b7921-16
0.416
MAR-TRE-74c6519b-6
0.416
MAR-TRE-4b834d9a-12
0.413
MAR-TRE-74c6519b-8
0.413
MAR-TRE-4b834d9a-15
0.413
MAR-TRE-4b834d9a-14
0.412
MAR-TRE-4b834d9a-21
0.410
MAR-TRE-4b834d9a-37
0.408
MAR-TRE-4b834d9a-6
0.408
MAR-TRE-74c6519b-72
0.407
MAR-TRE-b77b7921-3
0.400
MAR-TRE-b77b7921-23
0.396
MAR-TRE-b77b7921-61
0.394
MAR-TRE-b77b7921-100
0.392
MAR-TRE-3e4e6814-69
0.389
MAR-TRE-d0525fbf-4
0.389
MAR-TRE-7f7bb9f0-5
0.385
MAR-TRE-d0525fbf-7
0.385
MAR-TRE-04c86cea-57
0.383
MAR-TRE-d0525fbf-5
0.382
MAR-TRE-7f7bb9f0-29
0.380
MAR-TRE-7f7bb9f0-57
0.376
MAR-TRE-04c86cea-11
0.373
MAR-TRE-3e4e6814-5
0.354
MAR-TRE-b77b7921-68
0.351
MAR-TRE-74c6519b-27
0.340
MAR-TRE-04c86cea-4
0.333
MAR-TRE-4b834d9a-95
0.330
MAR-TRE-f6f5f473-92
0.328
MAR-TRE-74c6519b-78
0.327
MAR-TRE-9c797165-18
0.326
MAR-TRE-b77b7921-29
0.324
MAR-TRE-3e4e6814-14
0.324
MAR-TRE-7f7bb9f0-85
0.324
MAR-TRE-b77b7921-54
0.324
MAR-TRE-7f7bb9f0-39
0.320
MAR-TRE-4b834d9a-55
0.317
MAR-TRE-74c6519b-60
0.315
MAR-TRE-3e4e6814-90
0.315
MAR-TRE-f6f5f473-89
0.315
MAR-TRE-3e4e6814-18
0.314
MAR-TRE-b77b7921-90
0.312
MAR-TRE-4b834d9a-33
0.311
MAR-TRE-7f7bb9f0-17
0.311
MAR-TRE-74c6519b-25
0.308
MAR-TRE-74c6519b-65
0.308
MAR-TRE-d0525fbf-43
0.308
MAR-TRE-74c6519b-73
0.308
MAR-TRE-f6f5f473-94
0.308
MAR-TRE-67513f76-18
0.308
MAR-TRE-4b834d9a-93
0.307
MAR-TRE-74c6519b-3
0.306
MAR-TRE-4b834d9a-25
0.306
MAR-TRE-67513f76-27
0.305
MAR-TRE-4b834d9a-40
0.305
MAR-TRE-04c86cea-58
0.304
MAR-TRE-d0525fbf-79
0.304
MAR-TRE-4b834d9a-3
0.303
MAR-TRE-04c86cea-69
0.303
MAR-TRE-f6f5f473-34
0.303
MAR-TRE-4b834d9a-99
0.302
MAR-TRE-b77b7921-11
0.299
MAR-TRE-4b834d9a-8
0.299
MAR-TRE-4b834d9a-22
0.298
MAR-TRE-04c86cea-6
0.298
MAR-TRE-04c86cea-55
0.298
MAR-TRE-67513f76-91
0.297