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DocumentationIdentifier: MM179065
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179065 |
| SMILES |
C#CC=C(CC)NC=N
|
| InChIKey |
GROAQBUQCDKQER-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.11
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 | 0.8362 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9108 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8954 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.28 |
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| Tanimoto metric | 0.7823 |
|---|---|
| Cosine metric | 0.8845 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+329 more
