Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC12CC3CC(CN(C3)C1)C2 |
| MW: | 304.13 |
| Fraction sp3: | 0.59 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 32.34 |
| cLogP: | 2.48 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MIC-UNK-13557a72-1
NAM-UNK-f7c77a48-4
0.425
MIC-UNK-b12b7f76-1
0.424
MIC-UNK-13557a72-1
0.419
MAT-POS-0bc33984-2
0.413
JAN-GHE-5a013bed-5
0.406
ALP-POS-8b8a49e1-7
0.403
JAN-GHE-f4ca5a00-12
0.397
NAU-LAT-e1818702-1
0.397
PET-UNK-8df914d1-5
0.392
MIC-UNK-fc94cdb5-1
0.392
EDJ-MED-49816e9b-3
0.382
MAT-POS-500ca5bf-2
0.378
MIC-UNK-66895286-1
0.378
ALP-POS-90e38439-2
0.378
MIC-UNK-42806bd5-1
0.378
MIC-UNK-42806bd5-2
0.373
ALP-POS-90e38439-3
0.373
JAN-GHE-5a013bed-1
0.373
ALP-POS-8b8a49e1-5
0.373
ALP-POS-8b8a49e1-8
0.372
MAT-POS-bfb445d4-2
0.370
JAN-GHE-f4ca5a00-14
0.370
JAN-GHE-f4ca5a00-17
0.370
NAM-UNK-f7c77a48-3
0.370
NAU-LAT-e1818702-7
0.368
JAG-UCB-a3ef7265-15
0.368
JAG-UCB-a3ef7265-17
0.368
ALP-POS-90e38439-1
0.366
VLA-UCB-1dbca3b4-1
0.366
NAU-LAT-a5c7d7cb-13
0.366
MIC-UNK-8373f97b-2
0.365
JAN-GHE-f4ca5a00-16
0.358
NAU-LAT-a5c7d7cb-14
0.357
MIC-UNK-4c7b8ba7-1
0.354
JAN-GHE-5a013bed-9
0.351
JAN-GHE-5a013bed-6
0.351
EDG-MED-0da5ad92-13
0.351
PET-UNK-8df914d1-4
0.351
JAN-GHE-5a013bed-4
0.351
JOH-UNI-abfda500-5
0.350
MAT-POS-0bc33984-1
0.350
ANN-UNI-98d2bf15-3
0.350
ALP-POS-95b75b4d-5
0.349
MAT-POS-bb423b95-4
0.349
MAT-POS-4211dce8-1
0.349
JAN-GHE-5a013bed-7
0.347
NAU-LAT-e1818702-10
0.347
EDJ-MED-49816e9b-5
0.346
EDG-MED-0da5ad92-14
0.346
NAU-LAT-a5c7d7cb-11
0.345
EDJ-MED-a364e151-3
0.345
EDJ-MED-50fe53e8-4
0.345
JAN-GHE-5a013bed-8
0.342
JAN-GHE-5a013bed-11
0.342
EDG-MED-0da5ad92-2
0.342
PET-UNK-8df914d1-3
0.342
EDG-MED-0da5ad92-15
0.342
ALP-POS-8b8a49e1-6
0.341
MIC-UNK-d935700b-2
0.341
JAN-GHE-5a013bed-3
0.341
SAD-SAT-b55127ae-1
0.338
JAN-GHE-5a013bed-10
0.338
PET-UNK-e44ffd04-1
0.337
NAU-LAT-a5c7d7cb-12
0.337
MIC-UNK-8373f97b-5
0.337
EDJ-MED-c8e7a002-11
0.337
NAU-LAT-a5c7d7cb-10
0.337
SAM-UNK-2684b532-13
0.333
AGN-NEW-c7b24fe3-5
0.333
AGN-NEW-c7b24fe3-4
0.333
ALP-POS-95b75b4d-8
0.333
JOH-UNI-abfda500-4
0.333
EDG-MED-0da5ad92-16
0.333
MIC-UNK-8373f97b-4
0.333
EDG-MED-0da5ad92-21
0.333
EDJ-MED-49816e9b-2
0.333
MAT-POS-e1b5ac6b-1
0.329
NAU-LAT-e1818702-2
0.329
NAU-LAT-e1818702-9
0.329
NAU-LAT-e1818702-8
0.329
SAM-UNK-2684b532-14
0.329
AGN-NEW-c7b24fe3-1
0.329
ALP-POS-95b75b4d-6
0.329
EDG-MED-0da5ad92-12
0.329
MAT-POS-199e2e7c-1
0.326
EDJ-MED-c8e7a002-8
0.326
EDJ-MED-c8e7a002-9
0.326
EDJ-MED-c8e7a002-17
0.326
MAT-POS-199e2e7c-2
0.326
JAN-GHE-5a013bed-2
0.325
DAN-LON-a5fc619e-8
0.325
TRY-UNI-714a760b-6
0.325
EDJ-MED-c8e7a002-15
0.322
SAD-SAT-c989feaa-7
0.322
EDJ-MED-a364e151-2
0.322
EDJ-MED-a364e151-1
0.322
ALP-POS-3b848b35-3
0.321
VLA-UCB-00f2c2b3-7
0.321
JOH-UNI-6fede743-3
0.321
MAT-POS-bb423b95-6
0.321