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DocumentationIdentifier: MM63883
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM63883 |
| SMILES |
C#CC(O)COCC(=O)O
|
| InChIKey |
MJSMHRWQYOLUHW-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.92
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 | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.53 |
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Total active interactions
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|---|---|
| Cosine metric | 0.8379 |
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| PI: | 3
Total passive interactions
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| LogP: | 0.11 |
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+229 more
