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DocumentationIdentifier: MM159196
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159196 |
| SMILES |
CCC=C(C)C=CC#N
|
| InChIKey |
YQORXLRYLRYOMG-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
2.42
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 | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.93 |
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| AI: | 0
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Total passive interactions
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Total passive interactions
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