Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1CC(=O)Nc1cn(C)c(=O)c2ccccc12 |
MW: | 356.09 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 60.33 |
cLogP: | 3.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
MAT-POS-3b92565d-8
0.615
MAT-POS-4211dce8-1
0.608
MAT-POS-3b92565d-4
0.542
MAT-POS-e1b5ac6b-2
0.542
MAT-POS-3b92565d-1
0.537
MAT-POS-bbbbc21a-1
0.537
RAL-THA-2d450e86-29
0.537
LON-WEI-4d77710c-5
0.519
LON-WEI-5e7d1b3e-18
0.519
LON-WEI-4d77710c-18
0.519
LON-WEI-5e7d1b3e-5
0.519
LON-WEI-5e7d1b3e-1
0.518
LON-WEI-4d77710c-1
0.518
LON-WEI-4d77710c-36
0.512
LON-WEI-5e7d1b3e-36
0.512
MAT-POS-3b92565d-9
0.505
LON-WEI-4d77710c-52
0.476
MAT-POS-2492181e-1
0.476
LON-WEI-5e7d1b3e-52
0.476
MAT-POS-af71705c-1
0.463
LON-WEI-4d77710c-49
0.452
LON-WEI-5e7d1b3e-49
0.452
LON-WEI-5e7d1b3e-6
0.446
LON-WEI-4d77710c-6
0.446
LON-WEI-5e7d1b3e-12
0.437
LON-WEI-4d77710c-12
0.437
MAT-POS-3b92565d-10
0.437
LON-WEI-5e7d1b3e-33
0.426
LON-WEI-4d77710c-33
0.426
LON-WEI-5e7d1b3e-23
0.425
LON-WEI-4d77710c-23
0.425
LON-WEI-5e7d1b3e-47
0.419
MAT-POS-b5746674-42
0.419
LON-WEI-4d77710c-47
0.419
LON-WEI-4d77710c-46
0.418
MAT-POS-b5746674-97
0.418
LON-WEI-5e7d1b3e-46
0.418
MAT-POS-2492181e-2
0.412
MAT-POS-2492181e-3
0.412
LON-WEI-5e7d1b3e-31
0.404
LON-WEI-4d77710c-31
0.404
MAT-POS-2492181e-5
0.404
LON-WEI-5e7d1b3e-39
0.400
LON-WEI-4d77710c-39
0.400
LON-WEI-5e7d1b3e-37
0.396
LON-WEI-4d77710c-37
0.396
MAT-POS-b5746674-36
0.378
LON-WEI-4d77710c-45
0.378
LON-WEI-5e7d1b3e-45
0.378
LON-WEI-4d77710c-57
0.376
MAT-POS-b5746674-37
0.376
LON-WEI-4d77710c-59
0.376
MAT-POS-b5746674-38
0.376
LON-WEI-5e7d1b3e-57
0.376
LON-WEI-5e7d1b3e-59
0.376
EDG-MED-0da5ad92-7
0.374
LON-WEI-4d77710c-50
0.356
MAT-POS-b5746674-34
0.356
LON-WEI-5e7d1b3e-50
0.356
LON-WEI-5e7d1b3e-7
0.354
LON-WEI-4d77710c-7
0.354
MAT-POS-b5746674-98
0.354
LON-WEI-5e7d1b3e-43
0.351
LON-WEI-4d77710c-43
0.351
LON-WEI-4d77710c-28
0.350
LON-WEI-5e7d1b3e-28
0.350
MAT-POS-b5746674-35
0.343
JIN-POS-6dc588a4-18
0.337
MIC-UNK-e8d6fb58-3
0.336
MIC-UNK-df9dcda8-4
0.333
MAR-TRE-3159af1a-46
0.333
ALP-POS-d7944b10-2
0.330
PET-UNK-dd44aeb6-1
0.330
RAL-THA-2d450e86-27
0.330
RAL-THA-2d450e86-25
0.330
LON-WEI-5e7d1b3e-48
0.327
LON-WEI-4d77710c-48
0.327
BEN-DND-d1eb1f41-4
0.326
JIN-POS-6dc588a4-23
0.326
BEN-DND-d1eb1f41-6
0.323
BAR-COM-0f94fc3d-44
0.320
ALP-POS-d7944b10-10
0.318
MIC-UNK-df9dcda8-1
0.316
RAL-THA-2d450e86-24
0.315
PET-UNK-dd44aeb6-2
0.315
MAT-POS-2492181e-4
0.313
LON-WEI-4d77710c-17
0.313
LON-WEI-5e7d1b3e-17
0.313
JIN-POS-6dc588a4-19
0.311
MAT-POS-bb423b95-6
0.311
JOH-UNI-6fede743-3
0.311
ALP-POS-6479a3a9-2
0.310
ALP-POS-d7944b10-16
0.308
RAL-THA-2d450e86-39
0.308
MIC-UNK-df9dcda8-2
0.307
ALP-POS-d7944b10-18
0.306
MAR-TRE-fd17a9b8-94
0.306
MAT-POS-c20a539d-2
0.305
ALP-POS-df536be7-6
0.304
LON-WEI-5e7d1b3e-56
0.303