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DocumentationIdentifier: MM383369
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383369 |
| SMILES |
C#CC=C(CN)N(C)C=N
|
| InChIKey |
WZHWWQPZPWCZLR-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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| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.34 |
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Total active interactions
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| Tanimoto metric | 0.6456 |
|---|---|
| Cosine metric | 0.7848 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.55 |
||||
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| AI: | 0
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