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DocumentationIdentifier: MM215020
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215020 |
| SMILES |
C=CCOC=CCC=O
|
| InChIKey |
BUOUBAPROODNFJ-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.29
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 | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
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| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.13 |
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| AI: | 0
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Total passive interactions
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||||
|---|---|---|---|---|---|
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+517 more
