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DocumentationIdentifier: MM407180
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM407180 |
| SMILES |
C=CCC(C)C(C=O)C=O
|
| InChIKey |
YHYNZLAGUBEZMA-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.21
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 | 0.875 |
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| Dice metric | 0.9333 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.03 |
||||
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| AI: | 0
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Total passive interactions
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|---|---|
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.42 |
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