Molecular Properties | |
SMILES: | C[C@@H](c1ccccc1)n1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21 |
MW: | 401.14 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 75.35 |
cLogP: | 2.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
MAR-TRE-04c86cea-61
0.622
MAR-TRE-b77b7921-14
0.574
MAR-TRE-d0525fbf-40
0.571
MAR-TRE-b77b7921-56
0.571
MAR-TRE-b77b7921-64
0.567
MAR-TRE-04c86cea-37
0.567
MAR-TRE-04c86cea-98
0.567
MAR-TRE-d0525fbf-19
0.564
MAR-TRE-b77b7921-37
0.545
MAR-TRE-b77b7921-12
0.535
MAR-TRE-b77b7921-79
0.535
MAR-TRE-d0525fbf-13
0.535
MAR-TRE-f6f5f473-13
0.535
MAR-TRE-d0525fbf-57
0.529
MAR-TRE-3e4e6814-38
0.523
MAR-TRE-74c6519b-22
0.519
MAR-TRE-f6f5f473-32
0.514
MAR-TRE-b77b7921-38
0.495
MAR-TRE-04c86cea-28
0.466
MAR-TRE-d0525fbf-39
0.373
JOH-UNI-e19b918c-9
0.341
MAR-TRE-4b834d9a-34
0.337
MAR-TRE-3e4e6814-99
0.333
MAR-TRE-3e4e6814-30
0.333
JOH-UNI-e19b918c-8
0.330
MAR-TRE-74c6519b-83
0.327
MAR-TRE-04c86cea-50
0.327
MAR-TRE-b77b7921-82
0.325
MAR-TRE-d0525fbf-86
0.324
KOV-VNK-5e1a909f-5
0.319
MAR-TRE-4b834d9a-81
0.318
MAR-TRE-0fda4e82-9
0.317
MAR-TRE-04c86cea-30
0.316
MAR-TRE-04c86cea-92
0.316
MAR-TRE-f6f5f473-21
0.316
MAR-TRE-d0525fbf-67
0.315
MAR-TRE-f6f5f473-49
0.315
MAR-TRE-b77b7921-76
0.314
MAR-TRE-f6f5f473-86
0.314
JOH-IMS-0f19a540-10
0.314
JOH-UNI-e19b918c-11
0.314
MAR-TRE-3e4e6814-44
0.312
MAR-TRE-74c6519b-65
0.312
MAR-TRE-b77b7921-32
0.312
MAR-TRE-d0525fbf-59
0.311
MAR-TRE-4b834d9a-72
0.310
MAR-TRE-74c6519b-94
0.308
MAT-POS-b5746674-52
0.308
MAR-TRE-d0525fbf-46
0.306
MAR-TRE-3e4e6814-42
0.306
MAR-TRE-04c86cea-2
0.304
MAR-TRE-d0525fbf-52
0.304
MAR-TRE-fd17a9b8-44
0.304
MAR-TRE-fd17a9b8-38
0.303
MAR-TRE-d0525fbf-18
0.303
MAR-TRE-04c86cea-26
0.303
MAR-TRE-d0525fbf-80
0.303
MAR-TRE-b77b7921-49
0.302
MAR-TRE-4b834d9a-41
0.302
MAR-TRE-74c6519b-89
0.302
MAR-TRE-d3c2bf0e-27
0.301
MAR-TRE-b77b7921-51
0.300
MAR-TRE-d0525fbf-20
0.300
MAR-TRE-b77b7921-62
0.300
MAR-TRE-4b834d9a-19
0.299
MAK-UNK-7c9d1431-14
0.299
SAD-SAT-2ceae68f-8
0.299
MAR-TRE-4b834d9a-50
0.298
MAR-TRE-b77b7921-36
0.297
MAR-TRE-3e4e6814-77
0.297
MAR-TRE-7f7bb9f0-10
0.296
MAR-TRE-4b834d9a-80
0.296
MAR-TRE-f6f5f473-48
0.296
JOH-UNI-e19b918c-3
0.295
KOV-VNK-5e1a909f-6
0.295
MAR-TRE-f6f5f473-7
0.295
MAR-TRE-b77b7921-58
0.295
MAR-TRE-4b834d9a-28
0.294
BRU-UNI-248b30bc-44
0.294
MAR-TRE-f5c2d31c-59
0.294
MAR-TRE-d0525fbf-17
0.293
MAR-TRE-f6f5f473-11
0.292
MAR-TRE-f6f5f473-19
0.292
MAR-TRE-e86a56b5-54
0.292
MAR-TRE-b77b7921-33
0.291
MAR-TRE-d0525fbf-16
0.291
MAR-TRE-fd17a9b8-13
0.290
MAR-TRE-b77b7921-60
0.289
MAR-TRE-9c797165-19
0.288
MAR-TRE-b77b7921-41
0.288
LON-WEI-5e7d1b3e-55
0.288
MAR-TRE-d0525fbf-29
0.288
MAR-TRE-d0525fbf-60
0.288
MAR-TRE-74c6519b-40
0.288
LON-WEI-4d77710c-55
0.288
JON-UNI-93996c9d-3
0.287
MAR-TRE-74c6519b-74
0.287
MAR-TRE-4b834d9a-52
0.287
MAR-TRE-b77b7921-31
0.286
YUN-WES-85ecc354-1
0.286