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DocumentationIdentifier: MM280738
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280738 |
| SMILES |
N#CC=CNC(=N)C=CN
|
| InChIKey |
DWEWRUIOWKOQSJ-UHFFFAOYSA-N
|
| MW [Da] |
136.16
Automatically obtained from RDkit software. |
| LogP |
0.06
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 | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8547 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.82 |
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Total active interactions
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| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8272 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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