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DocumentationIdentifier: MM273697
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273697 |
| SMILES |
C=CC=C(CN)NC(C)=N
|
| InChIKey |
KNHXQESMMQTDRK-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.6
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 | 0.7154 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8341 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.66 |
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| AI: | 0
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Total passive interactions
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| LogP: | -0.63 |
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Total passive interactions
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| LogP: | 0.83 |
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+321 more
