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DocumentationIdentifier: MM180077
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180077 |
| SMILES |
C#CC(NC=N)C(=N)N
|
| InChIKey |
NVVGJERNTPKGPP-UHFFFAOYSA-N
|
| MW [Da] |
124.15
Automatically obtained from RDkit software. |
| LogP |
-0.88
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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MM74902
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Similarity to MM74902
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.877 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7133 |
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| Cosine metric | 0.8446 |
| Dice metric | 0.8327 |
| MW: | 138.17 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM70093
Similarity: 0.7039
Similarity to MM70093
| Tanimoto metric | 0.7039 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8263 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+54 more
