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DocumentationIdentifier: MM213112
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213112 |
| SMILES |
N#CCNCCOC=O
|
| InChIKey |
SSEMHJPAOATNES-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.73
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 | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
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| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | -0.23 |
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Total passive interactions
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| LogP: | -0.34 |
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Total active interactions
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+173 more
