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DocumentationIdentifier: MM170003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170003 |
| SMILES |
C=CC(=C)C=COC=O
|
| InChIKey |
CFQKWWQUCRQCKW-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
1.42
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 | 0.7971 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
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| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 1.81 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.81 |
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+81 more
