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 |
|---|---|---|---|---|---|
| 5cp9_ligand_frag_0.mol2 | 5cp9 | 0.545455 | -5.69 | c1ccoc1 | 5 |
| 2be2_ligand_frag_6.mol2 | 2be2 | 0.545455 | -5.67 | c1occc1 | 5 |
| 4gtp_ligand_frag_3.mol2 | 4gtp | 0.545455 | -5.61 | c1occc1 | 5 |
| 4bdj_ligand_frag_0.mol2 | 4bdj | 0.545455 | -5.46 | c1occc1 | 5 |
| 1z9y_ligand_frag_4.mol2 | 1z9y | 0.545455 | -5.44 | c1ccco1 | 5 |
| 4uyn_ligand_frag_2.mol2 | 4uyn | 0.545455 | -5.43 | c1occc1 | 5 |
| 1xkk_ligand_frag_4.mol2 | 1xkk | 0.545455 | -5.41 | c1ccco1 | 5 |
| 3mpt_ligand_frag_3.mol2 | 3mpt | 0.545455 | -5.35 | c1ccco1 | 5 |
100 ,
11
