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-90e38439-3
0.593
ALP-POS-8b8a49e1-5
0.593
PET-UNK-f92d7c0c-4
0.576
PET-UNK-f92d7c0c-5
0.576
PET-UNK-f92d7c0c-6
0.548
PET-UNK-f92d7c0c-1
0.548
MAT-POS-500ca5bf-2
0.525
ALP-POS-90e38439-2
0.525
MIC-UNK-42806bd5-1
0.525
MIC-UNK-fc94cdb5-1
0.516
ROB-UNI-daaf9793-4
0.515
MIC-UNK-13557a72-1
0.500
MIC-UNK-4c7b8ba7-1
0.485
MAT-POS-0bc33984-1
0.478
RUB-POS-1325a9ea-16
0.464
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
ROB-UNI-daaf9793-2
0.438
MIC-UNK-d935700b-2
0.438
NAU-LAT-a5c7d7cb-13
0.431
RUB-POS-1325a9ea-23
0.431
VLA-UCB-1dbca3b4-1
0.431
ALP-POS-90e38439-1
0.431
JAN-GHE-f4ca5a00-12
0.429
NAU-LAT-e1818702-1
0.429
PET-UNK-8df914d1-5
0.423
JAN-GHE-f4ca5a00-16
0.423
VLA-UNK-411a133b-1
0.418
NAM-UNK-f7c77a48-4
0.418
JAG-UCB-a3ef7265-17
0.418
JAN-GHE-5a013bed-4
0.418
NAU-LAT-e1818702-7
0.418
JAN-GHE-f4ca5a00-14
0.417
RUB-POS-1325a9ea-24
0.417
RUB-POS-1325a9ea-7
0.413
PET-UNK-f92d7c0c-2
0.411
RUB-POS-1325a9ea-20
0.411
PET-UNK-f92d7c0c-8
0.411
PET-UNK-158bee2a-4
0.409
MAT-POS-0bc33984-2
0.406
EDG-MED-0da5ad92-15
0.406
MIC-UNK-b12b7f76-2
0.403
PET-UNK-158bee2a-2
0.400
JAN-GHE-5a013bed-9
0.400
JAN-GHE-5a013bed-6
0.400
RUB-POS-1325a9ea-6
0.400
JAN-GHE-f4ca5a00-17
0.397
PET-UNK-8df914d1-4
0.397
EDG-MED-0da5ad92-16
0.397
RUB-POS-1325a9ea-21
0.395
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
JAN-GHE-5a013bed-11
0.388
EDG-MED-0da5ad92-2
0.388
MIC-UNK-66895286-1
0.388
ROB-UNI-daaf9793-3
0.387
TRY-UNI-714a760b-6
0.386
PET-UNK-f92d7c0c-3
0.386
JAN-GHE-5a013bed-10
0.382
JAN-GHE-5a013bed-1
0.382
VLA-UNK-411a133b-2
0.382
MAT-POS-90fd5f68-8
0.381
ABI-SAT-4d06482b-2
0.380
NAM-UNK-f7c77a48-3
0.379
EDJ-MED-49816e9b-2
0.377
PET-UNK-158bee2a-3
0.377
SAM-UNK-2684b532-13
0.377
EDG-MED-0da5ad92-13
0.377
EDG-MED-0da5ad92-21
0.377
ALP-POS-95b75b4d-8
0.377
JAG-UCB-a3ef7265-15
0.377
MAT-POS-90fd5f68-26
0.376
AGN-NEW-c7b24fe3-5
0.375
AGN-NEW-c7b24fe3-4
0.375
EDG-MED-0da5ad92-17
0.375
RUB-POS-1325a9ea-22
0.375
EDJ-MED-c8e7a002-4
0.372
ALP-POS-95b75b4d-6
0.371
EDG-MED-0da5ad92-12
0.371
EDJ-MED-49816e9b-3
0.371
EDJ-MED-49816e9b-5
0.371
TRY-UNI-9f475305-7
0.370
VLA-UNK-4cf5aa07-2
0.370
MAK-UNK-6ca90168-23
0.370
PET-UNK-f92d7c0c-7
0.370
ROB-UNI-daaf9793-1
0.368
NAU-LAT-e1818702-8
0.368
MAT-POS-e1b5ac6b-1
0.368
EDJ-MED-a364e151-3
0.368
ALP-POS-8b8a49e1-3
0.368
JIN-POS-6dc588a4-17
0.368