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DocumentationIdentifier: MM149769
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149769 |
| SMILES |
C=CC(CO)OC(C)C
|
| InChIKey |
CDOFDBBNGLTVJU-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
0.96
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 | 0.9079 |
|---|---|
| Cosine metric | 0.9528 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.12 |
||||
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| AI: | 0
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Total passive interactions
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| LogP: | -0.07 |
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| LogP: | 0.57 |
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