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DocumentationIdentifier: MM24320
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24320 |
| SMILES |
C=C(C)C(C)=O
|
| InChIKey |
ZGHFDIIVVIFNPS-UHFFFAOYSA-N
|
| MW [Da] |
84.12
Automatically obtained from RDkit software. |
| LogP |
1.15
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 | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 98.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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| LogP: | 1.54 |
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||||
|---|---|---|---|---|---|
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| LogP: | 1.32 |
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+348 more
