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DocumentationIdentifier: MM270552
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270552 |
| SMILES |
CC(=CC(N)=O)C(=O)CO
|
| InChIKey |
YQOZQCICIFTIDS-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51101
Similarity: 0.6781
Similarity to MM51101
| Tanimoto metric | 0.6781 |
|---|---|
| Cosine metric | 0.8235 |
| Dice metric | 0.8082 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290886
Similarity: 0.6667
Similarity to MM290886
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8027 |
| Dice metric | 0.8 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM248154
Similarity: 0.6532
Similarity to MM248154
| Tanimoto metric | 0.6532 |
|---|---|
| Cosine metric | 0.7904 |
| Dice metric | 0.7902 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
