Common name
2,5-dimethylfuran
IUPAC name
2,5-dimethylfuran
SMILES
o1c(ccc1C)C
Common name
2,5-dimethylfuran
IUPAC name
2,5-dimethylfuran
SMILES
o1c(ccc1C)C
INCHI
InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
FORMULA
C6H8O
Common name
2,5-dimethylfuran
IUPAC name
2,5-dimethylfuran
Molecular weight
96.127
clogP
2.215
clogS
-1.996
Frequency
0.0010
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
13.14
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00723 | Ranitidine |
|
Anti-Ulcer 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 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; H2 Antagonists; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in the treatment of peptic ulcer disease (PUD), dyspepsia, stress ulcer prophylaxis, and gastroesophageal reflux disease (GERD). |
| FDBD02289 | proparthrin |
|
Insecticide | Insecticide |
| FDBD02960 | furmecyclox |
|
Fungicide | Fungicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hwh_ligand_1_0.mol2 | 2hwh | 1 | -5.68 | Cc1ccc(o1)C | 7 |
| 2uy5_ligand_1_0.mol2 | 2uy5 | 0.954545 | -6.43 | Cc1ccco1 | 6 |
| 4bo9_ligand_1_4.mol2 | 4bo9 | 0.954545 | -6.22 | Cc1occc1 | 6 |
| 4oc3_ligand_1_9.mol2 | 4oc3 | 0.954545 | -6.14 | c1(ccco1)C | 6 |
| 2xn5_ligand_1_3.mol2 | 2xn5 | 0.954545 | -6.13 | Cc1ccco1 | 6 |
| 2be2_ligand_1_5.mol2 | 2be2 | 0.954545 | -6.10 | Cc1occc1 | 6 |
100 ,
11
