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DocumentationIdentifier: MM108694
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108694 |
| SMILES |
CN(C)C(=N)C=CN
|
| InChIKey |
TZUDZRPIPNJNLP-UHFFFAOYSA-N
|
| MW [Da] |
113.16
Automatically obtained from RDkit software. |
| LogP | N/A |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9028 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8903 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.72 |
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| AI: | 0
Total active interactions
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MM293267
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| Tanimoto metric | 0.7222 |
|---|---|
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
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