Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1CC(=O)c2ccccc21 |
| MW: | 299.07 |
| Fraction sp3: | 0.18 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 46.17 |
| cLogP: | 3.33 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Ketone
NAU-LAT-a5c7d7cb-14
0.562
MIC-UNK-fc94cdb5-1
0.515
MIC-UNK-42806bd5-1
0.500
MAT-POS-500ca5bf-2
0.500
ALP-POS-90e38439-2
0.500
MIC-UNK-4c7b8ba7-1
0.466
ALP-POS-8b8a49e1-7
0.464
VLA-UCB-1dbca3b4-1
0.455
NAU-LAT-a5c7d7cb-13
0.455
ALP-POS-90e38439-1
0.455
ALP-POS-8b8a49e1-5
0.451
MIC-UNK-42806bd5-2
0.451
ALP-POS-90e38439-3
0.451
ALP-POS-8b8a49e1-2
0.435
ALP-POS-8b8a49e1-8
0.427
JAN-GHE-f4ca5a00-17
0.405
MAT-POS-0bc33984-1
0.403
MIC-UNK-13557a72-1
0.400
MIC-UNK-8373f97b-5
0.388
ALP-POS-95b75b4d-5
0.383
MIC-UNK-8373f97b-4
0.383
MAT-POS-bb423b95-4
0.383
PET-UNK-8df914d1-5
0.375
MIC-UNK-d935700b-2
0.373
NAM-UNK-f7c77a48-4
0.368
JAN-GHE-5a013bed-5
0.366
MAT-POS-4211dce8-1
0.366
JAN-GHE-5a013bed-7
0.365
NAU-LAT-e1818702-10
0.365
NAU-LAT-e1818702-1
0.362
JAN-GHE-f4ca5a00-12
0.362
MIC-UNK-66895286-1
0.360
MAT-POS-0bc33984-2
0.359
JAN-GHE-f4ca5a00-16
0.358
JAN-GHE-f4ca5a00-14
0.354
JAN-GHE-5a013bed-6
0.351
JAN-GHE-5a013bed-9
0.351
NAM-UNK-f7c77a48-3
0.351
JAG-UCB-a3ef7265-17
0.351
JAN-GHE-5a013bed-4
0.351
EDG-MED-0da5ad92-21
0.351
NAU-LAT-e1818702-7
0.351
PET-UNK-8df914d1-4
0.351
EDG-MED-0da5ad92-14
0.346
EDJ-MED-49816e9b-5
0.346
JAN-GHE-5a013bed-8
0.342
JAN-GHE-5a013bed-11
0.342
EDG-MED-0da5ad92-2
0.342
EDG-MED-0da5ad92-15
0.342
MIC-UNK-b12b7f76-2
0.341
JAN-GHE-5a013bed-3
0.341
JAN-GHE-5a013bed-1
0.338
JAN-GHE-5a013bed-10
0.338
ABI-SAT-4d06482b-2
0.338
NAU-LAT-a5c7d7cb-12
0.337
ALP-POS-3b848b35-3
0.337
JOH-UNI-6fede743-3
0.337
MAT-POS-bb423b95-6
0.337
PET-UNK-e44ffd04-1
0.337
MAT-POS-bfb445d4-2
0.337
ALP-POS-95b75b4d-8
0.333
JAG-UCB-a3ef7265-15
0.333
EDG-MED-0da5ad92-16
0.333
PET-UNK-8df914d1-2
0.333
MAT-POS-f7918075-7
0.333
EDJ-MED-49816e9b-2
0.333
SAM-UNK-2684b532-13
0.333
EDG-MED-0da5ad92-13
0.333
AGN-NEW-c7b24fe3-5
0.333
EDJ-MED-50fe53e8-4
0.329
EDJ-MED-a364e151-3
0.329
MAT-POS-bb423b95-3
0.329
ALP-POS-0c2c77e1-1
0.329
MAT-POS-e1b5ac6b-1
0.329
NAU-LAT-a5c7d7cb-11
0.329
ALP-POS-95b75b4d-6
0.329
EDJ-MED-49816e9b-3
0.329
EDG-MED-0da5ad92-12
0.329
EDJ-MED-c8e7a002-8
0.326
MIC-UNK-d935700b-1
0.325
JAN-GHE-5a013bed-2
0.325
SAM-UNK-2684b532-11
0.325
PET-UNK-8df914d1-3
0.325
TRY-UNI-714a760b-6
0.325
EDJ-MED-c8e7a002-11
0.321
NAU-LAT-a5c7d7cb-10
0.321
ADA-UCB-6c2cb422-1
0.321
VLA-UCB-00f2c2b3-7
0.321
EDG-MED-0da5ad92-18
0.321
SAD-SAT-b55127ae-1
0.321
TRY-UNI-9f475305-7
0.319
EDJ-MED-c8e7a002-4
0.318
MIC-UNK-8373f97b-2
0.318
EDJ-MED-50fe53e8-3
0.318
EDJ-MED-c8e7a002-12
0.318
VLA-UCB-1dbca3b4-2
0.318
AGN-NEW-c7b24fe3-4
0.317
JOH-UNI-abfda500-4
0.317
JAN-GHE-83b26c96-15
0.317
EDG-MED-0da5ad92-17
0.317