Chembl600469
2D Structure
3D Structure
Source:
General | |
Identifier | MM469786 |
SMILES |
COC(=Cc1ccc(O)cc1)C(=O)O
|
InChIKey |
HUSAJBFJIABSAO-UHFFFAOYSA-N
|
MW [Da] |
194.19
Automatically obtained from RDkit software. |
LogP |
1.46
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
Chembl600469
|
Similar entries
Trans-4-hydroxycinnamate
Similarity: 0.6263
Similarity to Trans-4-hydroxycinnamate
Tanimoto metric | 0.6263 |
---|---|
Cosine metric | 0.7914 |
Dice metric | 0.7702 |
MW: | 164.16 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 1.49 |
||||
---|---|---|---|---|---|
AI: | 1
Total active interactions
|
Trans-3-hydroxycinnamate
Similarity: 0.5078
Similarity to Trans-3-hydroxycinnamate
Tanimoto metric | 0.5078 |
---|---|
Cosine metric | 0.6834 |
Dice metric | 0.6736 |
MW: | 164.16 |
||||
---|---|---|---|---|---|
PI: | 1
Total passive interactions
|
LogP: | 1.49 |
||||
---|---|---|---|---|---|
AI: | 1
Total active interactions
|
Cinnamic Acid
Similarity: 0.4662
Similarity to Cinnamic Acid
Tanimoto metric | 0.4662 |
---|---|
Cosine metric | 0.6828 |
Dice metric | 0.6359 |
MW: | 148.16 |
||||
---|---|---|---|---|---|
PI: | 4
Total passive interactions
|
LogP: | 1.78 |
||||
---|---|---|---|---|---|
AI: | 1
Total active interactions
|
+7 more