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DocumentationIdentifier: MM288987
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288987 |
| SMILES |
C=CC#CC=CNC(C)=N
|
| InChIKey |
QGYDCMYHDFVZTH-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.28
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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MM153875
Similarity: 0.9481
Similarity to MM153875
| Tanimoto metric | 0.9481 |
|---|---|
| Cosine metric | 0.9737 |
| Dice metric | 0.9733 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289006
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| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.9131 |
| Dice metric | 0.9125 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM288965
Similarity: 0.8295
Similarity to MM288965
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9077 |
| Dice metric | 0.9068 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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