Common name
2-methylfuran
IUPAC name
2-methylfuran
SMILES
Cc1occc1
Common name
2-methylfuran
IUPAC name
2-methylfuran
SMILES
Cc1occc1
INCHI
InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
FORMULA
C5H6O
Common name
2-methylfuran
IUPAC name
2-methylfuran
Molecular weight
82.101
clogP
1.865
clogS
-1.429
Frequency
0.0055
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 |
|---|---|---|---|---|
| FDBD00560 | Furosemide |
|
Diuretics; Sodium Potassium Chloride Symporter Inhibitors; Cardiovascular System; Sulfonamides, Plain; High-Ceiling Diuretics; High-Ceiling Diuretics and Potassium-Sparing Agents; | For the treatment of edema associated with congestive heart failure, cirrhosis of the liver, and renal disease, including the nephrotic syndrome. Also for the treatment of hypertension alone or in combination with other antihypertensive agents. |
| 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). |
| FDBD01101 | Lapatinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated in combination with capecitabine for the treatment of patients with advanced or metastatic breast cancer whose tumors overexpress the human epidermal receptor type 2 (HER2) protein and who have received prior therapy including an anthracycline, a taxane, and trastuzuma. |
| FDBD02241 | bioethanomethrin |
|
Insecticide | Insecticide |
| FDBD02244 | bromethrin |
|
Insecticide | Insecticide |
| FDBD02271 | furamethrin |
|
Insecticide | Insecticide |
| FDBD02272 | furethrin |
|
Insecticide | Insecticide |
| FDBD02275 | japothrins |
|
Insecticide | Insecticide |
| FDBD02276 | kadethrin |
|
Insecticide | Insecticide |
| FDBD02289 | proparthrin |
|
Insecticide | Insecticide |
16 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2uy5_ligand_1_0.mol2 | 2uy5 | 1 | -6.43 | Cc1ccco1 | 6 |
| 4bo9_ligand_1_4.mol2 | 4bo9 | 1 | -6.22 | Cc1occc1 | 6 |
| 4oc3_ligand_1_9.mol2 | 4oc3 | 1 | -6.14 | c1(ccco1)C | 6 |
| 2xn5_ligand_1_3.mol2 | 2xn5 | 1 | -6.13 | Cc1ccco1 | 6 |
| 2be2_ligand_1_5.mol2 | 2be2 | 1 | -6.10 | Cc1occc1 | 6 |
| 5cp9_ligand_1_0.mol2 | 5cp9 | 1 | -6.07 | Cc1ccco1 | 6 |
| 3mpt_ligand_1_2.mol2 | 3mpt | 1 | -5.72 | Cc1ccco1 | 6 |
100 ,
11
