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DocumentationIdentifier: MM411947
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM411947 |
| SMILES |
O=CC(C=O)OC(=O)CO
|
| InChIKey |
GTIRDPQUKDECLQ-UHFFFAOYSA-N
|
| MW [Da] |
146.1
Automatically obtained from RDkit software. |
| LogP |
-1.71
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 | 0.9121 |
|---|---|
| Cosine metric | 0.955 |
| Dice metric | 0.954 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | -0.24 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | -0.68 |
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+53 more
