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DocumentationIdentifier: MM153960
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153960 |
| SMILES |
CC=CC#CCC(C)=O
|
| InChIKey |
AUYAHAJGNXMYFN-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.55
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 | 0.9143 |
|---|---|
| Cosine metric | 0.9562 |
| Dice metric | 0.9552 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.16 |
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| LogP: | 0.52 |
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