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DocumentationIdentifier: MM358092
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358092 |
| SMILES |
CC=COC(=O)C=CCO
|
| InChIKey |
DKSPPKWNEVNHQS-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.61
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 | 0.8721 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9317 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158028
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| Cosine metric | 0.9339 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
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MM107671
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|---|---|
| Cosine metric | 0.8627 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+310 more
