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DocumentationIdentifier: MM112872
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112872 |
| SMILES |
N#CC(O)CNC=O
|
| InChIKey |
NVZONANFEAALKP-UHFFFAOYSA-N
|
| MW [Da] |
114.1
Automatically obtained from RDkit software. |
| LogP |
-1.38
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 | 0.7191 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8366 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | -0.73 |
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Total active interactions
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+166 more
