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DocumentationIdentifier: MM143182
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM143182 |
| SMILES |
C=CC(=O)NC(C)=CC
|
| InChIKey |
CSPIADVNWPYWDT-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.21
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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MM265282
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| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7857 |
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| Cosine metric | 0.8864 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.38 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM266190
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| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
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| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+388 more
