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DocumentationIdentifier: MM154583
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154583 |
| SMILES |
CCCCC#CC(C)=O
|
| InChIKey |
VJKHTMGYHCBXHV-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
1.77
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 | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
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| AI: | 0
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Total passive interactions
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