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DocumentationIdentifier: MM58366
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58366 |
| SMILES |
CC(=O)OC(C)(C#N)C#N
|
| InChIKey |
OSNAAKXQIFQLNS-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
0.36
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 | 0.73 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8439 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
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| AI: | 0
Total active interactions
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| PI: | 1
Total passive interactions
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Total passive interactions
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| LogP: | -0.53 |
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+89 more
