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DocumentationIdentifier: MM106464
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106464 |
| SMILES |
COCC#CC(=N)N
|
| InChIKey |
VZWYSACXEAOJQF-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
-0.43
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 | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8929 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7867 |
|---|---|
| Cosine metric | 0.8869 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | -0.9 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+270 more
