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DocumentationIdentifier: MM170638
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170638 |
| SMILES |
CNCC#CC(=N)NC
|
| InChIKey |
XSXKJNUTTXSOJG-UHFFFAOYSA-N
|
| MW [Da] |
125.18
Automatically obtained from RDkit software. |
| LogP |
-0.59
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 | 0.9194 |
|---|---|
| Cosine metric | 0.9588 |
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| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | -0.88 |
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Total passive interactions
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| LogP: | -0.62 |
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+475 more
