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DocumentationIdentifier: MM185079
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM185079 |
| SMILES |
C=CC(C)=CC1CN1C
|
| InChIKey |
GWEKDUBBPNKESC-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.9353 |
|---|---|
| Cosine metric | 0.9671 |
| Dice metric | 0.9665 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 1.82 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.37 |
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+346 more
