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DocumentationIdentifier: MM107212
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107212 |
| SMILES |
CCCC(C)NC=N
|
| InChIKey |
HDMPGGHNTLAMJP-UHFFFAOYSA-N
|
| MW [Da] |
114.19
Automatically obtained from RDkit software. |
| LogP |
1.37
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 | 0.8281 |
|---|---|
| Cosine metric | 0.91 |
| Dice metric | 0.906 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 1.62 |
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Total active interactions
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| Tanimoto metric | 0.7571 |
|---|---|
| Cosine metric | 0.8701 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.57 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+471 more
