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DocumentationIdentifier: MM172427
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172427 |
| SMILES |
CN(CCN)C(=N)CO
|
| InChIKey |
VESLWVYXXGJILQ-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-1.15
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 | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | -0.09 |
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Total active interactions
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| Tanimoto metric | 0.7023 |
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| Cosine metric | 0.838 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
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+392 more
