Common name
2,2,2-trifluoroethanol
IUPAC name
2,2,2-trifluoroethanol
SMILES
C(O)C(F)(F)F
Common name
2,2,2-trifluoroethanol
IUPAC name
2,2,2-trifluoroethanol
SMILES
C(O)C(F)(F)F
INCHI
InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
FORMULA
C2H3F3O
Common name
2,2,2-trifluoroethanol
IUPAC name
2,2,2-trifluoroethanol
Molecular weight
100.040
clogP
1.094
clogS
-0.517
Frequency
0.0034
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00323 | Lansoprazole |
|
Enzyme Inhibitors; Anti-Ulcer Agents; Proton Pump Inhibitors; Anti-Infective Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; 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; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, H. pylori eradication, and prevention of gastroinetestinal bleeds with NSAID use. |
| FDBD01041 | Flecainide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ic; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Flecainide is is a class Ic antiarrhythmic agent and as such, it is used for the prevention of paroxysmal supraventricular tachycardias (PSVT), including atrioventricular nodal reentrant tachycardia, atrioventricular reentrant tachycardia and other supraventricular tachycardias of unspecified mechanism associated with disablin. |
| FDBD01080 | Sevoflurane |
|
Platelet Aggregation Inhibitors; Anesthetics, Inhalation; Anesthetics; Nervous System; Halogenated Hydrocarbons; Anesthetics, General; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Used for induction and maintenance of general anesthesia in adult and pediatric patients for inpatient and outpatient surgery. |
| FDBD01385 | Silodosin |
|
Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Genito Urinary System and Sex Hormones; Drugs Used in Benign Prostatic Hypertrophy; Urological Agents; CYP3A4 Inhibitors; | Treatment for symptomatic relief of benign prostatic hyperplasia . |
| FDBD02472 | tembotrione |
|
Herbicide | Herbicide |
| FDBD02824 | trifloxysulfuron |
|
Herbicide | Herbicide |
| FDBD02836 | triflusulfuron |
|
Herbicide | Herbicide |
| FDBD03040 | tolprocarb |
|
Fungicide | Fungicide |
| FDBD03061 | furconazole |
|
Fungicide | Fungicide |
10 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4msu_ligand_frag_3.mol2 | 4msu | 1 | -5.55 | C(O)C(F)(F)F | 6 |
| 6gch_ligand_1_3.mol2 | 6gch | 1 | -5.46 | C(O)C(F)(F)F | 6 |
| 4pf3_ligand_1_2.mol2 | 4pf3 | 1 | -5.43 | C(O)C(F)F | 5 |
| 4zjr_ligand_2_15.mol2 | 4zjr | 1 | -5.40 | C(C(F)(F)F)O | 6 |
| 1hbj_ligand_1_5.mol2 | 1hbj | 1 | -5.39 | C(F)(F)(F)CO | 6 |
| 4d89_ligand_2_0.mol2 | 4d89 | 1 | -5.39 | C(C(F)(F)F)O | 6 |
| 4d8c_ligand_2_0.mol2 | 4d8c | 1 | -5.39 | OCC(F)(F)F | 6 |
| 4lxa_ligand_2_8.mol2 | 4lxa | 1 | -5.38 | C(C(F)(F)F)O | 6 |
152 ,
16
