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DocumentationIdentifier: MM213007
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213007 |
| SMILES |
CCCOCCOC=O
|
| InChIKey |
SCWNVZTWXMKFJJ-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
0.59
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 | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
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| PI: | 2
Total passive interactions
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| LogP: | 0.2 |
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| LogP: | -0.44 |
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+450 more
