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DocumentationIdentifier: MM104976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104976 |
| SMILES |
C=C(C)C=C(C)CC
|
| InChIKey |
FYQWQPVXKQWELA-UHFFFAOYSA-N
|
| MW [Da] |
110.2
Automatically obtained from RDkit software. |
| LogP |
2.92
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 | 0.8333 |
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| Cosine metric | 0.9129 |
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| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 3.31 |
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Total active interactions
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