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DocumentationIdentifier: MM171932
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171932 |
| SMILES |
CCC(O)C(O)CC#N
|
| InChIKey |
NFMIZWAHJQDQBH-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.03
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 | 0.971 |
|---|---|
| Cosine metric | 0.9854 |
| Dice metric | 0.9853 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | -0.36 |
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| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8676 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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