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DocumentationIdentifier: MM366065
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366065 |
| SMILES |
C#CC(=O)NCCOC=O
|
| InChIKey |
NYGVOLMMEBIIEH-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-1.09
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: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.62 |
||||
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| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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| LogP: | -0.23 |
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Total passive interactions
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| LogP: | -1.27 |
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+327 more
