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DocumentationIdentifier: MM272859
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272859 |
| SMILES |
C#CC(C=CC)NC(C)=N
|
| InChIKey |
OYHZQAJGRZNYGX-UHFFFAOYSA-N
|
| MW [Da] |
136.2
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 | 0.7951 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8858 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.76 |
||||
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| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 0.93 |
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