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DocumentationIdentifier: MM380144
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380144 |
| SMILES |
CC#CC(CF)C(C)C=O
|
| InChIKey |
NGODTJKZIPUAJL-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.43
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 | 0.781 |
|---|---|
| Cosine metric | 0.8837 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
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|---|---|---|---|---|---|
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Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.57 |
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| AI: | 0
Total active interactions
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+336 more
