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DocumentationIdentifier: MM171970
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171970 |
| SMILES |
CC(NC=O)C(O)CO
|
| InChIKey |
NQKOCGHJGVEZTJ-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-1.53
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 | 0.8016 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8899 |
| MW: | 149.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.5 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7113 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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