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DocumentationIdentifier: MM294057
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294057 |
| SMILES |
C=C(CC#N)C(=C)OCC
|
| InChIKey |
JOJLNLZHQWCPMH-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2.01
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 | 0.7619 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8649 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.5 |
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Total active interactions
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| Tanimoto metric | 0.7122 |
|---|---|
| Cosine metric | 0.8355 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+92 more
