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DocumentationIdentifier: MM174478
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174478 |
| SMILES |
C=C(C=CC)C(=C)CC
|
| InChIKey |
WQEPUZQQQCNCDU-UHFFFAOYSA-N
|
| MW [Da] |
122.21
Automatically obtained from RDkit software. |
| LogP |
3.08
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 | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
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Total passive interactions
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| LogP: | 3.48 |
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MM357044
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| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
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