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DocumentationIdentifier: MM289928
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289928 |
| SMILES |
CC#CCCC#CC(C)=O
|
| InChIKey |
VODVDNNQWVXYRI-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.38
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 | 0.9811 |
|---|---|
| Cosine metric | 0.9905 |
| Dice metric | 0.9905 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.99 |
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Total passive interactions
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| LogP: | 1.38 |
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| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
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| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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