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DocumentationIdentifier: MM323764
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323764 |
| SMILES |
C=CC(=C)C#CC(=N)NC
|
| InChIKey |
SSUZTTITQKRADK-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.93
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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MM83905
Similarity: 0.7931
Similarity to MM83905
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM77946
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Similarity to MM77946
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM323812
Similarity: 0.6866
Similarity to MM323812
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.8142 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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