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DocumentationIdentifier: MM273743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273743 |
| SMILES |
CC(=O)OC(=CC=O)CO
|
| InChIKey |
ICAIAXSIZVQDEA-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150474
Similarity: 0.7939
Similarity to MM150474
| Tanimoto metric | 0.7939 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8851 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179054
Similarity: 0.7099
Similarity to MM179054
| Tanimoto metric | 0.7099 |
|---|---|
| Cosine metric | 0.8426 |
| Dice metric | 0.8304 |
| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67365
Similarity: 0.671
Similarity to MM67365
| Tanimoto metric | 0.671 |
|---|---|
| Cosine metric | 0.8031 |
| Dice metric | 0.8031 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
