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DocumentationIdentifier: MM179469
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179469 |
| SMILES |
C#CC=C(C#N)C=CC
|
| InChIKey |
PBBGWVFEJSXODH-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
1.65
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 | 0.9011 |
|---|---|
| Cosine metric | 0.9493 |
| Dice metric | 0.948 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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