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DocumentationIdentifier: MM426094
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM426094 |
| SMILES |
C=CC(C=C)C=COC=O
|
| InChIKey |
VJGKMPVYHLGHFQ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.66
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 | 0.9385 |
|---|---|
| Cosine metric | 0.9687 |
| Dice metric | 0.9683 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 1.89 |
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| LogP: | 1.89 |
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+171 more
