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DocumentationIdentifier: MM163359
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163359 |
| SMILES |
CCC=CC(=O)C(C)C
|
| InChIKey |
YXDHNLJRDOGKKB-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.18
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 | 0.9178 |
|---|---|
| Cosine metric | 0.958 |
| Dice metric | 0.9571 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.57 |
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| AI: | 0
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Total passive interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.36 |
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