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Documentation4-Methylphenylacetic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00611 |
| SMILES |
Cc1ccc(CC(=O)O)cc1
|
| InChIKey |
GXXXUZIRGXYDFP-UHFFFAOYSA-N
|
| MW [Da] |
150.18
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
248474
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
Phenylacetic Acid
Similarity: 0.8806
Similarity to Phenylacetic Acid
| Tanimoto metric | 0.8806 |
|---|---|
| Cosine metric | 0.9384 |
| Dice metric | 0.9365 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 8
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-[4-[2-(Methylamino)-2-oxoethyl]phenyl]acetic Acid
Similarity: 0.6802
Similarity to 2-[4-[2-(Methylamino)-2-oxoethyl]phenyl]acetic Acid
| Tanimoto metric | 0.6802 |
|---|---|
| Cosine metric | 0.8247 |
| Dice metric | 0.8097 |
| MW: | 207.23 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
4-hydroxyphenylacetic Acid
Similarity: 0.6556
Similarity to 4-hydroxyphenylacetic Acid
| Tanimoto metric | 0.6556 |
|---|---|
| Cosine metric | 0.796 |
| Dice metric | 0.7919 |
| MW: | 152.15 |
||||
|---|---|---|---|---|---|
| PI: | 8
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+12 more
