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DocumentationIdentifier: MM322272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM322272 |
| SMILES |
CNC(=O)C=CC(=O)CO
|
| InChIKey |
KSFMYLBJNQSNPP-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145784
Similarity: 0.7719
Similarity to MM145784
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63166
Similarity: 0.6466
Similarity to MM63166
| Tanimoto metric | 0.6466 |
|---|---|
| Cosine metric | 0.7861 |
| Dice metric | 0.7854 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM322382
Similarity: 0.6241
Similarity to MM322382
| Tanimoto metric | 0.6241 |
|---|---|
| Cosine metric | 0.7686 |
| Dice metric | 0.7686 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
