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DocumentationIdentifier: MM161327
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161327 |
| SMILES |
C=C(C)C(=O)C(=C)C=O
|
| InChIKey |
PHLLTELIYHGRBG-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.89
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 | 0.9381 |
|---|---|
| Cosine metric | 0.9686 |
| Dice metric | 0.9681 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
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| AI: | 0
Total active interactions
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| PI: | 1
Total passive interactions
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| LogP: | 0.5 |
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Total passive interactions
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| LogP: | 1.05 |
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+199 more
