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DocumentationIdentifier: MM139940
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139940 |
| SMILES |
CC(O)C(O)(C=O)C=O
|
| InChIKey |
NRYAXQAKSNEGHX-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-1.5
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 | 0.8319 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9082 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8992 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8637 |
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| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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