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DocumentationIdentifier: MM272920
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272920 |
| SMILES |
C#CC(C#CC)OC(C)=O
|
| InChIKey |
RCSKUNJNWSRZCJ-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.57
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 | 0.8544 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9215 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
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| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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Total passive interactions
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| LogP: | 0.18 |
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+125 more
