Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)Nc1cnccc1C1(Cc2cccc(Cl)c2)CCOCC1 |
| MW: | 344.13 |
| Fraction sp3: | 0.37 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 51.22 |
| cLogP: | 3.98 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-50
0.817
SAD-SAT-7d5528d9-4
0.517
SAD-SAT-7d5528d9-20
0.500
SAD-SAT-7d5528d9-23
0.476
SAD-SAT-7d5528d9-10
0.471
SAD-SAT-7d5528d9-12
0.466
SAD-SAT-7d5528d9-6
0.444
SAD-SAT-7d5528d9-17
0.442
SAD-SAT-7d5528d9-52
0.424
SAD-SAT-7d5528d9-35
0.419
SAD-SAT-7d5528d9-54
0.411
JOH-UNI-abfda500-4
0.410
SAD-SAT-7d5528d9-53
0.402
SAD-SAT-7d5528d9-56
0.400
JOH-UNI-abfda500-5
0.393
ANN-UNI-98d2bf15-3
0.393
SAD-SAT-7d5528d9-46
0.386
TRY-UNI-714a760b-6
0.386
SAD-SAT-7d5528d9-40
0.385
MAT-POS-bb423b95-5
0.384
ALP-POS-f13221e1-4
0.384
SAM-UNK-2684b532-11
0.384
RUB-POS-1325a9ea-19
0.384
SAD-SAT-7d5528d9-7
0.379
ALP-POS-95b75b4d-8
0.378
SAM-UNK-2684b532-13
0.378
ALP-POS-95b75b4d-6
0.373
SAD-SAT-7d5528d9-13
0.372
MAK-UNK-6ca90168-23
0.372
EDG-MED-0da5ad92-6
0.369
JIN-POS-6dc588a4-4
0.368
JIN-POS-6dc588a4-3
0.368
SAM-UNK-2684b532-12
0.368
JAN-GHE-83b26c96-2
0.360
MAT-POS-bb423b95-4
0.360
ALP-POS-95b75b4d-5
0.360
JIN-POS-6dc588a4-6
0.356
ALP-POS-95b75b4d-7
0.348
BAR-COM-ebf5acce-11
0.347
MAT-POS-bb423b95-1
0.344
SAD-SAT-7d5528d9-2
0.344
ALP-POS-0c2c77e1-1
0.341
MAT-POS-bb423b95-3
0.341
MAK-UNK-f203cb68-2
0.337
SAD-SAT-7d5528d9-49
0.337
ABI-SAT-4d06482b-2
0.333
MAT-POS-90fd5f68-4
0.333
JAN-GHE-83b26c96-8
0.333
JAN-GHE-83b26c96-20
0.333
EDG-MED-0da5ad92-11
0.333
EDJ-MED-976da9a6-1
0.333
NIM-UNI-b87c0f72-2
0.330
NIM-UNI-b87c0f72-1
0.330
MAK-UNK-f203cb68-10
0.330
SAD-SAT-7d5528d9-18
0.330
JAN-GHE-83b26c96-17
0.330
SAD-SAT-7d5528d9-36
0.327
SAM-UNK-2684b532-5
0.326
SAD-SAT-7d5528d9-42
0.323
BAR-COM-ebf5acce-1
0.323
PET-UNK-b1ef24dc-4
0.323
MAT-POS-bb423b95-2
0.323
EDJ-MED-6e43a462-5
0.323
RUB-POS-1325a9ea-5
0.323
EDJ-MED-6e43a462-6
0.323
MAT-POS-f7918075-5
0.323
EDG-MED-0da5ad92-5
0.322
JAN-GHE-83b26c96-9
0.322
MAK-UNK-6ca90168-24
0.322
PET-UNK-8df914d1-3
0.322
CHR-SOS-7098f804-21
0.321
EDG-MED-0da5ad92-2
0.321
PET-UNK-f92d7c0c-4
0.321
PET-UNK-f92d7c0c-5
0.321
JAN-GHE-5a013bed-8
0.321
MAT-POS-14ad9fe9-1
0.320
MAT-POS-90fd5f68-22
0.320
EDJ-MED-a364e151-2
0.319
SAD-SAT-7d5528d9-47
0.319
EDG-MED-0da5ad92-18
0.318
BEN-DND-61647d40-19
0.318
EDG-MED-0da5ad92-3
0.318
EDG-MED-0da5ad92-19
0.318
JAN-GHE-5a013bed-10
0.318
MAK-UNK-f203cb68-1
0.317
BAR-COM-ebf5acce-9
0.316
RUB-POS-1325a9ea-1
0.316
MAT-POS-f7918075-7
0.316
JIN-POS-6dc588a4-2
0.315
MAT-POS-bb423b95-9
0.315
EDG-MED-0da5ad92-1
0.315
JAN-GHE-83b26c96-15
0.315
TRY-UNI-714a760b-3
0.315
SAM-UNK-2684b532-7
0.315
MAK-UNK-f203cb68-18
0.315
BAR-COM-ebf5acce-13
0.314
MAK-UNK-f203cb68-13
0.314
NAU-LAT-a5c7d7cb-3
0.313
VLA-UCB-05e51b3f-2
0.313
EDG-MED-0da5ad92-20
0.313