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DocumentationIdentifier: MM237494
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237494 |
| SMILES |
CC(=O)OC(C)C=CC=O
|
| InChIKey |
FECKXTQXZDJZPS-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264226
Similarity: 0.7417
Similarity to MM264226
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8517 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264143
Similarity: 0.6617
Similarity to MM264143
| Tanimoto metric | 0.6617 |
|---|---|
| Cosine metric | 0.7974 |
| Dice metric | 0.7964 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264259
Similarity: 0.6493
Similarity to MM264259
| Tanimoto metric | 0.6493 |
|---|---|
| Cosine metric | 0.7883 |
| Dice metric | 0.7873 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
