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DocumentationIdentifier: MM454620
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454620 |
| SMILES |
CCc1ccc(OC)cc1
|
| InChIKey |
HDNRAPAFJLXKBV-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
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 | 0.7681 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8689 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 7
Total passive interactions
|
| LogP: | 1.95 |
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| AI: | 0
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| Cosine metric | 0.7976 |
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| PI: | 1
Total passive interactions
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|---|---|
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Total passive interactions
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