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DocumentationIdentifier: MM382251
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382251 |
| SMILES |
C=CC1NC1C(C)=O
|
| InChIKey |
YEJJTRNCMPAGFS-UHFFFAOYSA-N
|
| MW [Da] |
111.14
Automatically obtained from RDkit software. |
| LogP |
0.1
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 | 0.7841 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.49 |
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|---|---|
| Cosine metric | 0.8478 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+88 more
