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DocumentationIdentifier: MM383921
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383921 |
| SMILES |
C#CC(=CCN)N(C)C=N
|
| InChIKey |
QZOVGLBLRNIAGY-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP | N/A |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM198015
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| Tanimoto metric | 0.7955 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8861 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM179348
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| Tanimoto metric | 0.7045 |
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| Cosine metric | 0.8394 |
| Dice metric | 0.8267 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM175300
Similarity: 0.697
Similarity to MM175300
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+177 more
