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DocumentationIdentifier: MM385643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385643 |
| SMILES |
CCOC=C(CC)CC#N
|
| InChIKey |
IGMSQCUUIRDRNR-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
2.23
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 | 0.8256 |
|---|---|
| Cosine metric | 0.9086 |
| Dice metric | 0.9045 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
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| AI: | 0
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 1.34 |
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|---|---|
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
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