Common name
2-hydroxy-4-methyl-benzoic acid
IUPAC name
2-hydroxy-4-methyl-benzoic acid
SMILES
Cc1cc(c(cc1)C(=O)O)O
Common name
2-hydroxy-4-methyl-benzoic acid
IUPAC name
2-hydroxy-4-methyl-benzoic acid
SMILES
Cc1cc(c(cc1)C(=O)O)O
INCHI
InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
FORMULA
C8H8O3
Common name
2-hydroxy-4-methyl-benzoic acid
IUPAC name
2-hydroxy-4-methyl-benzoic acid
Molecular weight
152.147
clogP
1.189
clogS
-1.112
Frequency
0.0003
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
57.53
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00769 | Repaglinide |
|
Hypoglycemic Agents; Antidiabetic Agents; Meglitinides; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | As an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hdc_ligand_2_6.mol2 | 4hdc | 1 | -5.91 | Cc1ccc(c(c1)O)C(=O)O | 11 |
| 4qgf_ligand_2_7.mol2 | 4qgf | 1 | -5.86 | c1(ccc(c(c1)O)C(=O)O)C | 11 |
| 4gfd_ligand_2_1.mol2 | 4gfd | 1 | -5.85 | c1cc(cc(c1C(=O)O)O)C | 11 |
| 4qg7_ligand_2_9.mol2 | 4qg7 | 1 | -5.85 | c1(ccc(c(c1)O)C(=O)O)C | 11 |
| 4gsy_ligand_2_2.mol2 | 4gsy | 1 | -5.80 | c1cc(cc(c1C(=O)O)O)C | 11 |
| 1j5i_ligand_frag_0.mol2 | 1j5i | 0.947368 | -6.99 | c1c2c(ccc(c2C(=O)O)O)c(cc1)C | 15 |
| 2y7k_ligand_frag_0.mol2 | 2y7k | 0.891892 | -7.43 | C(=O)(O)c1c(cccc1)O | 10 |
| 2y7k_ligand.mol2 | 2y7k | 0.891892 | -7.43 | C(=O)(O)c1c(cccc1)O | 11 |
| 1nf8_ligand_frag_0.mol2 | 1nf8 | 0.891892 | -7.38 | c1(c(cccc1)O)C(=O)O | 10 |
| 2y7p_ligand_frag_0.mol2 | 2y7p | 0.891892 | -7.24 | C(=O)(O)c1c(cccc1)O | 10 |
102 ,
11
