Common name
2-ethoxybenzoic acid
IUPAC name
2-ethoxybenzoic acid
SMILES
O(c1ccccc1C(=O)O)CC
Common name
2-ethoxybenzoic acid
IUPAC name
2-ethoxybenzoic acid
SMILES
O(c1ccccc1C(=O)O)CC
INCHI
InChI=1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
FORMULA
C9H10O3
Common name
2-ethoxybenzoic acid
IUPAC name
2-ethoxybenzoic acid
Molecular weight
166.174
clogP
1.548
clogS
-1.690
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
46.53
Number of Rings
1
Rotatable Bond
3
| 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 |
|---|---|---|---|---|---|
| 2xk4_ligand_2_0.mol2 | 2xk4 | 1 | -7.17 | c1(ccccc1C(=O)O)OCC | 12 |
| 1nny_ligand_3_285.mol2 | 1nny | 0.978723 | -6.96 | C(C)Oc1cc2c(cc1C(=O)O)cccc2 | 16 |
| 2xk8_ligand_1_0.mol2 | 2xk8 | 0.891304 | -6.85 | c1(ccccc1C(=O)O)OC | 11 |
| 4cjr_ligand_1_5.mol2 | 4cjr | 0.891304 | -6.74 | O(C)c1c(cccc1)C(=O)O | 11 |
| 4cig_ligand_1_4.mol2 | 4cig | 0.891304 | -6.69 | c1ccc(c(c1)C(=O)O)OC | 11 |
| 5diq_ligand_2_2.mol2 | 5diq | 0.891304 | -6.07 | c1(c(cccc1)C(=O)O)OC | 11 |
| 4wt2_ligand_1_0.mol2 | 4wt2 | 0.891304 | -5.54 | c1(ccccc1C(=O)O)OC | 11 |
| 1nny_ligand_2_77.mol2 | 1nny | 0.87234 | -6.69 | COc1cc2c(cc1C(=O)O)cccc2 | 15 |
100 ,
11
