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DocumentationIdentifier: MM117017
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM117017 |
| SMILES |
C=CC(CN)C(=N)N
|
| InChIKey |
MPCKRTUOBHKWSH-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP |
-0.32
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 | 0.7528 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.859 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
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| AI: | 0
Total active interactions
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Total passive interactions
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Total passive interactions
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| LogP: | -0.06 |
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+330 more
