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DocumentationIdentifier: MM199250
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199250 |
| SMILES |
O=CCCC(C=O)C=O
|
| InChIKey |
KUAPETJWSCRJET-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.02
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 | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9293 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.8 |
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Total passive interactions
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| LogP: | 0.8 |
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+96 more
