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DocumentationIdentifier: MM426039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM426039 |
| SMILES |
C=CC(C=C)C=CNC=N
|
| InChIKey |
SWUYICDMFNRNER-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.68
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 | 0.9385 |
|---|---|
| Cosine metric | 0.9687 |
| Dice metric | 0.9683 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.57 |
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Total active interactions
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| Cosine metric | 0.8917 |
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| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+223 more
