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DocumentationIdentifier: MM349654
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349654 |
| SMILES |
C=CC(=C)C(O)COCC
|
| InChIKey |
AUXQWVQTCOLMKZ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM349782
Similarity: 0.771
Similarity to MM349782
| Tanimoto metric | 0.771 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8707 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162167
Similarity: 0.7478
Similarity to MM162167
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8557 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84753
Similarity: 0.7
Similarity to MM84753
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.824 |
| Dice metric | 0.8235 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
