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DocumentationIdentifier: MM179857
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179857 |
| SMILES |
CC(=O)C(CO)CC=O
|
| InChIKey |
JGHPNZFTVGSLKF-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
-0.23
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 | 0.781 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.877 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
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|---|---|---|---|---|---|
| AI: | 0
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| Cosine metric | 0.8695 |
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| PI: | 1
Total passive interactions
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| LogP: | 0.59 |
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| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8272 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
