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DocumentationIdentifier: MM171933
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171933 |
| SMILES |
O=CCC(O)C(O)CO
|
| InChIKey |
ASJSAQIRZKANQN-UHFFFAOYSA-N
|
| MW [Da] |
134.13
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 | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8549 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.32 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8428 |
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| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
