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DocumentationIdentifier: MM116058
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116058 |
| SMILES |
CCC(C=O)CC#N
|
| InChIKey |
ZHYXXZIETYEENU-UHFFFAOYSA-N
|
| MW [Da] |
111.14
Automatically obtained from RDkit software. |
| LogP |
1.13
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 | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 97.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.3 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
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+396 more
