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DocumentationIdentifier: MM139172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139172 |
| SMILES |
CC(CN)(CN)CCO
|
| InChIKey |
WLLXBGRCNJQSLH-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
-0.71
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 | 0.9375 |
|---|---|
| Cosine metric | 0.9682 |
| Dice metric | 0.9677 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8944 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.35 |
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Total active interactions
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|---|---|
| Cosine metric | 0.8885 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.05 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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