Common name
1-ethoxy-4-fluoro-benzene
IUPAC name
1-ethoxy-4-fluoro-benzene
SMILES
CCOc1ccc(cc1)F
Common name
1-ethoxy-4-fluoro-benzene
IUPAC name
1-ethoxy-4-fluoro-benzene
SMILES
CCOc1ccc(cc1)F
INCHI
InChI=1S/C8H9FO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
FORMULA
C8H9FO
Common name
1-ethoxy-4-fluoro-benzene
IUPAC name
1-ethoxy-4-fluoro-benzene
Molecular weight
140.155
clogP
2.572
clogS
-2.576
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00469 | Cisapride |
|
Gastrointestinal Agents; Anti-Ulcer Agents; Serotonin Receptor Agonists; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives; 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; 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); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the symptomatic treatment of adult patients with nocturnal heartburn due to gastroesophageal reflux disease. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4yt6_ligand_2_6.mol2 | 4yt6 | 1 | -6.12 | O(c1ccc(cc1)F)CC | 10 |
| 4yt7_ligand_2_3.mol2 | 4yt7 | 1 | -6.12 | C(C)Oc1ccc(cc1)F | 10 |
| 2bz6_ligand_2_11.mol2 | 2bz6 | 1 | -6.08 | C(C)Oc1ccc(F)cc1 | 10 |
| 3k23_ligand_1_2.mol2 | 3k23 | 0.866667 | -6.13 | O(C)c1ccc(F)cc1 | 9 |
| 4j53_ligand_1_2.mol2 | 4j53 | 0.866667 | -6.05 | c1cc(ccc1F)OC | 9 |
| 4yzn_ligand_1_5.mol2 | 4yzn | 0.866667 | -5.98 | c1c(ccc(c1)F)OC | 9 |
| 5e1e_ligand_1_0.mol2 | 5e1e | 0.866667 | -5.90 | c1(ccc(cc1)F)OC | 9 |
| 4cnh_ligand_1_2.mol2 | 4cnh | 0.866667 | -5.82 | c1cc(ccc1OC)F | 9 |
| 4yt6_ligand_3_25.mol2 | 4yt6 | 0.857143 | -6.08 | O(c1cc(O)c(cc1)F)CC | 11 |
219 ,
22
