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DocumentationIdentifier: MM244794
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244794 |
| SMILES |
CC(C)C(C)CN(C)C=N
|
| InChIKey |
NPTPZOSTMJSZBU-UHFFFAOYSA-N
|
| MW [Da] |
142.25
Automatically obtained from RDkit software. |
| LogP |
1.82
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 | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8664 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.96 |
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Total active interactions
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MM261558
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| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8588 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+482 more
