Molecule Details
| Molecular Properties | |
| SMILES: | O=C1CCC(NC(=O)Cc2cccc(Cl)c2)C1 |
| MW: | 251.07 |
| Fraction sp3: | 0.38 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 46.17 |
| cLogP: | 2.12 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Ketones
Ketone
ALP-POS-8b8a49e1-8
0.633
MIC-UNK-42806bd5-2
0.593
ALP-POS-8b8a49e1-5
0.593
ALP-POS-90e38439-3
0.593
MAT-POS-500ca5bf-2
0.525
MIC-UNK-42806bd5-1
0.525
ALP-POS-90e38439-2
0.525
MIC-UNK-fc94cdb5-1
0.516
MIC-UNK-13557a72-1
0.500
MIC-UNK-4c7b8ba7-1
0.485
MAT-POS-0bc33984-1
0.478
ALP-POS-8b8a49e1-6
0.464
MIC-UNK-8373f97b-5
0.457
MIC-UNK-8373f97b-4
0.451
JAN-GHE-5a013bed-5
0.443
NAU-LAT-a5c7d7cb-14
0.438
MIC-UNK-d935700b-2
0.438
NAU-LAT-a5c7d7cb-13
0.431
ALP-POS-90e38439-1
0.431
VLA-UCB-1dbca3b4-1
0.431
JAN-GHE-f4ca5a00-12
0.429
NAU-LAT-e1818702-1
0.429
JAN-GHE-f4ca5a00-16
0.423
PET-UNK-8df914d1-5
0.423
JAG-UCB-a3ef7265-17
0.418
NAU-LAT-e1818702-7
0.418
JAN-GHE-5a013bed-4
0.418
NAM-UNK-f7c77a48-4
0.418
JAN-GHE-f4ca5a00-14
0.417
EDG-MED-0da5ad92-15
0.406
MAT-POS-0bc33984-2
0.406
MIC-UNK-b12b7f76-2
0.403
JAN-GHE-5a013bed-6
0.400
JAN-GHE-5a013bed-9
0.400
JAN-GHE-f4ca5a00-17
0.397
PET-UNK-8df914d1-4
0.397
EDG-MED-0da5ad92-16
0.397
NAU-LAT-e1818702-10
0.394
JAN-GHE-5a013bed-7
0.394
MAT-POS-bb423b95-4
0.392
ALP-POS-95b75b4d-5
0.392
EDG-MED-0da5ad92-14
0.391
JAN-GHE-5a013bed-8
0.388
EDG-MED-0da5ad92-2
0.388
MIC-UNK-66895286-1
0.388
JAN-GHE-5a013bed-11
0.388
TRY-UNI-714a760b-6
0.386
JAN-GHE-5a013bed-1
0.382
JAN-GHE-5a013bed-10
0.382
ABI-SAT-4d06482b-2
0.380
NAM-UNK-f7c77a48-3
0.379
SAM-UNK-2684b532-13
0.377
EDG-MED-0da5ad92-21
0.377
ALP-POS-95b75b4d-8
0.377
JAG-UCB-a3ef7265-15
0.377
EDJ-MED-49816e9b-2
0.377
EDG-MED-0da5ad92-13
0.377
EDG-MED-0da5ad92-17
0.375
AGN-NEW-c7b24fe3-4
0.375
AGN-NEW-c7b24fe3-5
0.375
EDJ-MED-c8e7a002-4
0.372
EDJ-MED-49816e9b-5
0.371
EDG-MED-0da5ad92-12
0.371
EDJ-MED-49816e9b-3
0.371
ALP-POS-95b75b4d-6
0.371
TRY-UNI-9f475305-7
0.370
MAK-UNK-6ca90168-23
0.370
MAT-POS-e1b5ac6b-1
0.368
EDJ-MED-a364e151-3
0.368
ALP-POS-8b8a49e1-3
0.368
NAU-LAT-e1818702-8
0.368
PET-UNK-8df914d1-3
0.366
JAN-GHE-5a013bed-2
0.365
MIC-UNK-d935700b-1
0.365
JAN-GHE-5a013bed-3
0.364
MAT-POS-199e2e7c-1
0.364
SAD-SAT-b55127ae-1
0.362
EDG-MED-0da5ad92-18
0.361
MAT-POS-bfb445d4-2
0.360
VLA-UCB-00f2c2b3-7
0.360
JOH-UNI-6fede743-3
0.360
MAT-POS-bb423b95-6
0.360
EDJ-MED-a364e151-1
0.359
JOH-UNI-abfda500-4
0.356
ANN-UNI-98d2bf15-3
0.356
TRY-UNI-714a760b-3
0.356
JOH-UNI-abfda500-5
0.356
EDJ-MED-50fe53e8-3
0.355
MIC-UNK-50cce87d-2
0.355
PET-UNK-8df914d1-2
0.355
MAT-POS-4211dce8-1
0.355
MAT-POS-f7918075-7
0.354
AGN-NEW-c7b24fe3-1
0.351
NAU-LAT-a5c7d7cb-11
0.351
EDJ-MED-50fe53e8-4
0.351
NAU-LAT-e1818702-2
0.351
NAU-LAT-e1818702-9
0.351
SAM-UNK-2684b532-11
0.347
SAM-UNK-2684b532-12
0.347
MAT-POS-bb423b95-5
0.347