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DocumentationIdentifier: MM198589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198589 |
| SMILES |
CCCOC(CC)CO
|
| InChIKey |
DMGHGPMEWIGQDR-UHFFFAOYSA-N
|
| MW [Da] |
132.2
Automatically obtained from RDkit software. |
| LogP |
1.18
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 | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
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| AI: | 0
Total active interactions
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MM339820
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Total passive interactions
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|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.9063 |
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| PI: | 3
Total passive interactions
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| LogP: | -0.23 |
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+890 more
