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DocumentationIdentifier: MM150562
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150562 |
| SMILES |
C=CC(=CC)OC(C)=O
|
| InChIKey |
WQHLXFMFHYITHY-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.64
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 | 0.811 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.8957 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 0.58 |
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|---|---|
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
