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DocumentationIdentifier: MM113186
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113186 |
| SMILES |
O=COCC(=O)CO
|
| InChIKey |
SFHGCKFCFHOQHX-UHFFFAOYSA-N
|
| MW [Da] |
118.09
Automatically obtained from RDkit software. |
| LogP |
-1.28
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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MM25886
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 102.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8389 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.81 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+111 more
