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-f92d7c0c-5
0.397
PET-UNK-f92d7c0c-4
0.397
PET-UNK-8df914d1-5
0.392
MIC-UNK-fc94cdb5-1
0.392
PET-UNK-f92d7c0c-1
0.382
EDJ-MED-49816e9b-3
0.382
PET-UNK-f92d7c0c-6
0.382
MAT-POS-500ca5bf-2
0.378
MIC-UNK-42806bd5-1
0.378
ALP-POS-90e38439-2
0.378
MIC-UNK-66895286-1
0.378
ALP-POS-8b8a49e1-5
0.373
VLA-UNK-411a133b-2
0.373
JAN-GHE-5a013bed-1
0.373
MIC-UNK-42806bd5-2
0.373
ALP-POS-90e38439-3
0.373
ALP-POS-8b8a49e1-8
0.372
RUB-POS-1325a9ea-24
0.370
JAN-GHE-f4ca5a00-14
0.370
JAN-GHE-f4ca5a00-17
0.370
MAT-POS-bfb445d4-2
0.370
NAM-UNK-f7c77a48-3
0.370
JAG-UCB-a3ef7265-15
0.368
NAU-LAT-e1818702-7
0.368
JAG-UCB-a3ef7265-17
0.368
RUB-POS-1325a9ea-23
0.366
NAU-LAT-a5c7d7cb-13
0.366
ALP-POS-90e38439-1
0.366
VLA-UCB-1dbca3b4-1
0.366
MIC-UNK-8373f97b-2
0.365
JAN-GHE-f4ca5a00-16
0.358
NAU-LAT-a5c7d7cb-14
0.357
ROB-UNI-daaf9793-2
0.357
MAT-POS-7174c657-2
0.357
MIC-UNK-4c7b8ba7-1
0.354
JAN-GHE-5a013bed-6
0.351
PET-UNK-158bee2a-2
0.351
JAN-GHE-5a013bed-9
0.351
EDG-MED-0da5ad92-13
0.351
PET-UNK-8df914d1-4
0.351
JAN-GHE-5a013bed-4
0.351
VLA-UNK-411a133b-1
0.351
JOH-UNI-abfda500-5
0.350
MAT-POS-0bc33984-1
0.350
ANN-UNI-98d2bf15-3
0.350
MAT-POS-bb423b95-4
0.349
ROB-UNI-daaf9793-4
0.349
ALP-POS-95b75b4d-5
0.349
MAT-POS-4211dce8-1
0.349
NAU-LAT-e1818702-10
0.347
JAN-GHE-5a013bed-7
0.347
EDG-MED-0da5ad92-14
0.346
EDJ-MED-49816e9b-5
0.346
VLA-UNK-4cf5aa07-2
0.346
NAU-LAT-a5c7d7cb-11
0.345
BEN-DND-02317c5c-9
0.345
EDJ-MED-50fe53e8-4
0.345
EDJ-MED-a364e151-3
0.345
JAN-GHE-5a013bed-8
0.342
JAN-GHE-5a013bed-11
0.342
PET-UNK-158bee2a-4
0.342
EDG-MED-0da5ad92-2
0.342
PET-UNK-8df914d1-3
0.342
PET-UNK-f92d7c0c-3
0.342
EDG-MED-0da5ad92-15
0.342
RUB-POS-1325a9ea-16
0.341
JIN-POS-6dc588a4-5
0.341
ALP-POS-8b8a49e1-6
0.341
JAN-GHE-5a013bed-3
0.341
MIC-UNK-d935700b-2
0.341
JAN-GHE-5a013bed-10
0.338
SAD-SAT-b55127ae-1
0.338
NAU-LAT-a5c7d7cb-10
0.337
EDJ-MED-c8e7a002-11
0.337
PET-UNK-e44ffd04-1
0.337
NAU-LAT-a5c7d7cb-12
0.337
MIC-UNK-8373f97b-5
0.337
BEN-DND-02317c5c-8
0.337
RUB-POS-1325a9ea-21
0.337
EDJ-MED-6e43a462-8
0.337
EDJ-MED-239d8ca5-1
0.337
JOH-UNI-abfda500-4
0.333
MIC-UNK-8373f97b-4
0.333
PET-UNK-158bee2a-1
0.333
VLA-UNK-4cf5aa07-1
0.333
JIN-POS-6dc588a4-7
0.333
AGN-NEW-c7b24fe3-4
0.333
ALP-POS-95b75b4d-8
0.333
SAM-UNK-2684b532-13
0.333
JIN-POS-6dc588a4-2
0.333
PET-UNK-f92d7c0c-8
0.333
EDG-MED-0da5ad92-21
0.333