Common name
4-methylbenzoic acid
IUPAC name
4-methylbenzoic acid
SMILES
c1(ccc(cc1)C(=O)O)C
Common name
4-methylbenzoic acid
IUPAC name
4-methylbenzoic acid
SMILES
c1(ccc(cc1)C(=O)O)C
INCHI
InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
FORMULA
C8H8O2
Common name
4-methylbenzoic acid
IUPAC name
4-methylbenzoic acid
Molecular weight
136.148
clogP
1.676
clogS
-1.521
Frequency
0.0014
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00736 | Eprosartan |
|
Cardiovascular System; Angiotensin II Antagonists, Plain; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Diuretics; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Angiotensin II Receptor Antagonists; | For the management of hypertension alone or in combination with other classes of antihypertensive agents. Also used as a first-line agent in the treatment of diabetic nephropathy, as well as a second-line agent in the treatment of congestive heart failure (only in those intolerant of ACE inhibitors). |
| 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. |
| FDBD02566 | imazamethabenz |
|
Herbicide | Herbicide |
| FDBD02813 | mesosulfuron |
|
Herbicide | Herbicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4prg_ligand_1_12.mol2 | 4prg | 1 | -7.30 | c1(ccc(cc1)C(=O)O)C | 10 |
| 2ozr_ligand_1_0.mol2 | 2ozr | 1 | -7.14 | Cc1ccc(cc1)C(=O)O | 10 |
| 5bpa_ligand_1_2.mol2 | 5bpa | 1 | -6.98 | Cc1ccc(cc1)C(=O)O | 10 |
| 2zdt_ligand_1_3.mol2 | 2zdt | 1 | -6.66 | c1(ccc(cc1)C(=O)O)C | 10 |
| 3h06_ligand_1_0.mol2 | 3h06 | 1 | -6.63 | c1(ccc(cc1)C(=O)O)C | 10 |
| 4jxv_ligand_1_0.mol2 | 4jxv | 1 | -6.53 | c1cc(ccc1C)C(=O)O | 10 |
| 4jxw_ligand_1_0.mol2 | 4jxw | 1 | -6.45 | Cc1ccc(cc1)C(=O)O | 10 |
270 ,
28
