Common name
(2R)-2-methyl-3-phenyl-propanoic acid
IUPAC name
(2R)-2-methyl-3-phenyl-propanoic acid
SMILES
c1(ccccc1)CC(C(=O)O)C
Common name
(2R)-2-methyl-3-phenyl-propanoic acid
IUPAC name
(2R)-2-methyl-3-phenyl-propanoic acid
SMILES
c1(ccccc1)CC(C(=O)O)C
INCHI
InChI=1S/C10H12O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1
FORMULA
C10H12O2
Common name
(2R)-2-methyl-3-phenyl-propanoic acid
IUPAC name
(2R)-2-methyl-3-phenyl-propanoic acid
Molecular weight
164.201
clogP
2.060
clogS
-1.845
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01096 | Mitiglinide |
|
Hypoglycemic Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; | For the treatment of type 2 diabetes. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4qfl_ligand_2_5.mol2 | 4qfl | 1 | -7.39 | C(CC(=O)O)c1ccccc1 | 11 |
| 1ahx_ligand.mol2 | 1ahx | 1 | -7.35 | C(=O)(O)CCc1ccccc1 | 12 |
| 1iy7_ligand_2_0.mol2 | 1iy7 | 1 | -7.35 | C(C(=O)O)Cc1ccccc1 | 11 |
| 1cbx_ligand_2_2.mol2 | 1cbx | 1 | -7.29 | C(c1ccccc1)CC(=O)O | 11 |
| 1wht_ligand_2_2.mol2 | 1wht | 1 | -7.20 | C(C(=O)O)Cc1ccccc1 | 11 |
| 8cpa_ligand_2_30.mol2 | 8cpa | 1 | -7.19 | C(C(=O)O)Cc1ccccc1 | 11 |
| 1cps_ligand_3_2.mol2 | 1cps | 1 | -7.18 | c1(ccccc1)C[C@@H](C(=O)O)C | 12 |
107 ,
11
