Common name
2-(2-pyridyl)ethanol
IUPAC name
2-(2-pyridyl)ethanol
SMILES
C(CO)c1ncccc1
Common name
2-(2-pyridyl)ethanol
IUPAC name
2-(2-pyridyl)ethanol
SMILES
C(CO)c1ncccc1
INCHI
InChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2
FORMULA
C7H9NO
Common name
2-(2-pyridyl)ethanol
IUPAC name
2-(2-pyridyl)ethanol
Molecular weight
123.152
clogP
1.520
clogS
-1.608
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
33.12
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00981 | Pioglitazone |
|
Hypoglycemic Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Thiazolidinediones; Blood Glucose Lowering Drugs, Excl. Insulins; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Treatment of Type II diabetes mellitus. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5c2e_ligand_3_32.mol2 | 5c2e | 1 | -5.84 | C(O)Cc1ncccc1 | 9 |
| 4jps_ligand_1_0.mol2 | 4jps | 0.8 | -6.43 | C(C)(C)c1ncccc1 | 9 |
| 4ya8_ligand_1_13.mol2 | 4ya8 | 0.8 | -6.40 | c1(ncccc1)C(C)C | 9 |
| 3frz_ligand_1_6.mol2 | 3frz | 0.8 | -6.19 | C(C)c1ncccc1 | 8 |
| 3in4_ligand_1_0.mol2 | 3in4 | 0.8 | -6.16 | C(C)c1ncccc1 | 8 |
110 ,
12
