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DocumentationIdentifier: MM116140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116140 |
| SMILES |
C#CC(CN)NC=N
|
| InChIKey |
UIUWMYMPFJLHDT-UHFFFAOYSA-N
|
| MW [Da] |
111.15
Automatically obtained from RDkit software. |
| LogP |
-0.86
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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MM387786
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| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.828 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8316 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6915 |
|---|---|
| Cosine metric | 0.8316 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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