Molecular Properties | |
SMILES: | C[C@H](NC(=O)Cn1c(=O)c2nncn2c2ncccc21)c1ccccc1 |
MW: | 348.13 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.18 |
cLogP: | 1.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
multiple aromatic rings
dyes5A(27)
MAR-TRE-74c6519b-27
0.628
MAR-TRE-3e4e6814-1
0.610
MAR-TRE-04c86cea-4
0.604
MAR-TRE-3e4e6814-3
0.602
MAR-TRE-3e4e6814-36
0.602
MAR-TRE-4b834d9a-87
0.582
MAR-TRE-b77b7921-29
0.576
MAR-TRE-4b834d9a-13
0.554
MAR-TRE-4b834d9a-61
0.554
MAR-TRE-f6f5f473-40
0.532
MAR-TRE-d0525fbf-11
0.526
MAR-TRE-7f7bb9f0-9
0.526
MAR-TRE-b77b7921-98
0.440
MAR-TRE-74c6519b-72
0.429
MAR-TRE-9c797165-89
0.417
MAR-TRE-9c797165-36
0.411
MAR-TRE-b77b7921-100
0.400
MAR-TRE-04c86cea-57
0.390
MAR-TRE-7f7bb9f0-57
0.384
MAR-TRE-3e4e6814-69
0.383
MAR-TRE-b77b7921-68
0.382
MAR-TRE-9c797165-45
0.381
MAR-TRE-04c86cea-11
0.380
MAR-TRE-3e4e6814-12
0.363
MAR-TRE-9c797165-15
0.361
MAR-TRE-3e4e6814-14
0.356
MAR-TRE-3e4e6814-7
0.349
MAR-TRE-3e4e6814-5
0.347
MAR-TRE-74c6519b-60
0.346
MAR-TRE-04c86cea-1
0.343
MAR-TRE-67513f76-94
0.337
MAR-TRE-4b834d9a-55
0.337
MAR-TRE-4b834d9a-95
0.337
MAR-TRE-9c797165-18
0.333
MAR-TRE-4b834d9a-84
0.333
MAR-TRE-74c6519b-8
0.330
MAR-TRE-4b834d9a-21
0.327
MAR-TRE-4b834d9a-22
0.327
MAR-TRE-74c6519b-10
0.327
MAR-TRE-9c797165-74
0.327
MAR-TRE-74c6519b-71
0.327
MAR-TRE-4b834d9a-93
0.324
MAR-TRE-74c6519b-3
0.324
MAR-TRE-f6f5f473-92
0.322
MAR-TRE-b77b7921-2
0.321
MAR-TRE-3e4e6814-90
0.321
MAR-TRE-b77b7921-93
0.321
MAR-TRE-74c6519b-7
0.319
MAR-TRE-4b834d9a-12
0.318
MAR-TRE-4b834d9a-15
0.318
MAR-TRE-b77b7921-90
0.318
MAR-TRE-b77b7921-16
0.318
MAR-TRE-9c797165-92
0.318
MAR-TRE-74c6519b-6
0.318
MAR-TRE-7f7bb9f0-93
0.318
MAR-TRE-b77b7921-11
0.317
MAR-TRE-7f7bb9f0-17
0.317
MAR-TRE-7f7bb9f0-85
0.317
MAR-TRE-4b834d9a-20
0.316
MAR-TRE-74c6519b-9
0.315
MAR-TRE-04c86cea-55
0.315
MAR-TRE-4b834d9a-14
0.315
MAR-TRE-b77b7921-4
0.315
MAR-TRE-4b834d9a-2
0.314
MAR-TRE-74c6519b-25
0.314
MAR-TRE-67513f76-18
0.314
MAR-TRE-7f7bb9f0-39
0.313
MAR-TRE-d0525fbf-38
0.312
MAR-TRE-4b834d9a-83
0.312
MAR-TRE-67513f76-76
0.312
MAR-TRE-4b834d9a-6
0.312
MAR-TRE-4b834d9a-37
0.312
MAR-TRE-4b834d9a-25
0.311
MAR-TRE-4b834d9a-10
0.310
MAR-TRE-7f7bb9f0-34
0.310
MAR-TRE-4b834d9a-9
0.310
MAR-TRE-4b834d9a-5
0.309
MAR-TRE-7f7bb9f0-7
0.309
MAR-TRE-4b834d9a-18
0.309
MAR-TRE-4b834d9a-47
0.309
MAR-TRE-f6f5f473-89
0.308
MAR-TRE-d0525fbf-28
0.308
MAR-TRE-04c86cea-69
0.308
MAR-TRE-3e4e6814-18
0.308
MAR-TRE-4b834d9a-99
0.308
MAR-TRE-74c6519b-78
0.308
MAR-TRE-d0525fbf-7
0.307
MAR-TRE-d0525fbf-22
0.307
MAR-TRE-7f7bb9f0-5
0.307
MAR-TRE-67513f76-52
0.306
MAR-TRE-b77b7921-22
0.306
MAR-TRE-74c6519b-5
0.306
MAR-TRE-b77b7921-3
0.306
MAR-TRE-4b834d9a-8
0.305
MAR-TRE-4b834d9a-33
0.305
MAR-TRE-d0525fbf-5
0.304
MAR-TRE-b77b7921-54
0.304
MAR-TRE-d0525fbf-41
0.304
MAR-TRE-4b834d9a-4
0.304
MAR-TRE-4b834d9a-11
0.304