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DocumentationIdentifier: MM93037
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93037 |
| SMILES |
C=COCC=CC(=O)CO
|
| InChIKey |
PKYYMQZYWDXCEF-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169815
Similarity: 0.8488
Similarity to MM169815
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154180
Similarity: 0.7907
Similarity to MM154180
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114235
Similarity: 0.6744
Similarity to MM114235
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8056 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
