Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)Nc1cnccc1C1(Cc2cccc(Cl)c2)CCOC1 |
| MW: | 330.11 |
| Fraction sp3: | 0.33 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 51.22 |
| cLogP: | 3.59 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-5
0.817
SAD-SAT-7d5528d9-4
0.478
SAD-SAT-7d5528d9-56
0.477
SAD-SAT-7d5528d9-12
0.429
SAD-SAT-7d5528d9-52
0.419
SAD-SAT-7d5528d9-6
0.409
SAD-SAT-7d5528d9-54
0.407
JOH-UNI-abfda500-4
0.405
SAD-SAT-7d5528d9-20
0.405
SAD-SAT-7d5528d9-17
0.404
SAD-SAT-7d5528d9-35
0.400
SAD-SAT-7d5528d9-53
0.398
SAD-SAT-7d5528d9-23
0.389
ANN-UNI-98d2bf15-3
0.388
JOH-UNI-abfda500-5
0.388
SAD-SAT-7d5528d9-10
0.385
SAD-SAT-7d5528d9-46
0.382
TRY-UNI-714a760b-6
0.381
SAD-SAT-7d5528d9-40
0.380
RUB-POS-1325a9ea-19
0.379
ALP-POS-f13221e1-4
0.379
SAD-SAT-7d5528d9-7
0.375
ALP-POS-95b75b4d-8
0.373
SAM-UNK-2684b532-13
0.373
ALP-POS-95b75b4d-6
0.369
MAK-UNK-6ca90168-23
0.368
EDG-MED-0da5ad92-6
0.365
JIN-POS-6dc588a4-4
0.364
JIN-POS-6dc588a4-3
0.364
SAM-UNK-2684b532-12
0.364
MAT-POS-bb423b95-5
0.364
BAR-COM-ebf5acce-11
0.356
ALP-POS-95b75b4d-5
0.356
JAN-GHE-83b26c96-2
0.356
MAT-POS-bb423b95-4
0.356
SAD-SAT-7d5528d9-13
0.354
MAT-POS-bb423b95-3
0.352
JIN-POS-6dc588a4-6
0.352
ALP-POS-0c2c77e1-1
0.352
SAM-UNK-2684b532-11
0.348
ABI-SAT-4d06482b-2
0.345
ALP-POS-95b75b4d-7
0.344
MAT-POS-90fd5f68-4
0.344
MAT-POS-bb423b95-1
0.341
EDG-MED-0da5ad92-14
0.337
EDJ-MED-239d8ca5-2
0.333
EDJ-MED-6e43a462-5
0.333
JAN-GHE-5a013bed-8
0.333
RUB-POS-1325a9ea-11
0.333
MAK-UNK-f203cb68-2
0.333
SAD-SAT-7d5528d9-42
0.333
SAD-SAT-7d5528d9-49
0.333
EDJ-MED-6e43a462-6
0.333
EDJ-MED-976da9a6-1
0.330
EDG-MED-0da5ad92-11
0.330
JAN-GHE-83b26c96-20
0.330
SAD-SAT-7d5528d9-2
0.327
JIN-POS-6dc588a4-2
0.326
JAN-GHE-83b26c96-17
0.326
BAR-COM-ebf5acce-13
0.324
EDG-MED-0da5ad92-20
0.323
SAD-SAT-7d5528d9-36
0.323
MAK-UNK-f203cb68-11
0.321
MAK-UNK-f203cb68-3
0.320
MAT-POS-f7918075-5
0.319
BAR-COM-0f94fc3d-25
0.319
MAT-POS-bb423b95-2
0.319
JAN-GHE-83b26c96-9
0.319
EDG-MED-0da5ad92-5
0.319
MAK-UNK-6ca90168-24
0.318
PET-UNK-8df914d1-3
0.318
CHR-SOS-7098f804-21
0.318
EDG-MED-0da5ad92-2
0.318
MAK-UNK-f203cb68-12
0.317
MAT-POS-14ad9fe9-1
0.316
MAT-POS-90fd5f68-22
0.316
RUB-POS-1325a9ea-8
0.316
SAD-SAT-7d5528d9-47
0.316
EDJ-MED-a364e151-2
0.316
JAN-GHE-83b26c96-8
0.316
BEN-DND-61647d40-19
0.315
EDG-MED-0da5ad92-19
0.315
EDG-MED-0da5ad92-3
0.315
EDG-MED-0da5ad92-18
0.315
JAN-GHE-5a013bed-10
0.314
MAK-UNK-f203cb68-10
0.314
MAK-UNK-f203cb68-1
0.314
NIM-UNI-b87c0f72-1
0.314
NIM-UNI-b87c0f72-2
0.314
MAT-POS-f7918075-7
0.312
SAD-SAT-7d5528d9-18
0.312
RUB-POS-1325a9ea-1
0.312
MAT-POS-bb423b95-9
0.312
RIT-AID-a492ba81-1
0.311
JAN-GHE-83b26c96-15
0.311
MAK-UNK-f203cb68-18
0.311
EDG-MED-0da5ad92-1
0.311
SAM-UNK-2684b532-7
0.311
TRY-UNI-714a760b-3
0.311
MAK-UNK-f203cb68-13
0.311