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DocumentationIdentifier: MM113720
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113720 |
| SMILES |
C=CC(=O)NC=CC
|
| InChIKey |
SWUGWSQSZUHKIY-UHFFFAOYSA-N
|
| MW [Da] |
111.14
Automatically obtained from RDkit software. |
| LogP |
0.82
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 | 0.8493 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9185 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
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| PI: | 1
Total passive interactions
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| LogP: | |||||
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| AI: | 0
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Total passive interactions
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| LogP: | 1.21 |
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+427 more
