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DocumentationIdentifier: MM171186
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171186 |
| SMILES |
C=CC(C)=CCCC=O
|
| InChIKey |
QSGFNRAGUVEDCC-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
2.1
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 | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
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| AI: | 0
Total active interactions
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Total passive interactions
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