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DocumentationIdentifier: MM398894
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM398894 |
| SMILES |
C=CC(O)(C=C)CCC
|
| InChIKey |
YPDJPKPVKBQLGJ-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.89
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 | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
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|---|---|---|---|---|---|
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| LogP: | 2.28 |
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