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DocumentationIdentifier: MM388176
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388176 |
| SMILES |
CC(C)CC(C)O
|
| InChIKey |
WVYWICLMDOOCFB-UHFFFAOYSA-N
|
| MW [Da] |
102.18
Automatically obtained from RDkit software. |
| LogP |
1.41
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 | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 116.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.8 |
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