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DocumentationIdentifier: MM221336
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221336 |
| SMILES |
CC#CC(=O)OC(C)(C)C
|
| InChIKey |
SQMITIWFLFJKAL-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.35
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 | 0.8602 |
|---|---|
| Cosine metric | 0.9275 |
| Dice metric | 0.9249 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.898 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.96 |
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|---|---|---|---|---|---|
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Total active interactions
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MM237777
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| Tanimoto metric | 0.7477 |
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| Cosine metric | 0.8556 |
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| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.57 |
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+262 more
