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DocumentationIdentifier: MM150557
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150557 |
| SMILES |
C=C(C)OC(C=O)=CC
|
| InChIKey |
KOIXLFUDCAULMR-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.64
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 | 0.899 |
|---|---|
| Cosine metric | 0.9482 |
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| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.64 |
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Total active interactions
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Total passive interactions
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+413 more
