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DocumentationIdentifier: MM165769
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165769 |
| SMILES |
C=CCNCC(O)CO
|
| InChIKey |
VKKVHMLNLRBECT-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-0.88
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 | 0.8023 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8903 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8855 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.23 |
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| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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