Common name
butan-2-one
IUPAC name
butan-2-one
SMILES
O=C(C)CC
Common name
butan-2-one
IUPAC name
butan-2-one
SMILES
O=C(C)CC
INCHI
InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
FORMULA
C4H8O
Common name
butan-2-one
IUPAC name
butan-2-one
Molecular weight
72.106
clogP
0.590
clogS
-0.868
Frequency
0.0021
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
17.07
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00218 | Methadone |
|
Analgesics; Analgesics, Opioid; Narcotics; Antitussive Agents; Nervous System; Drugs Used in Addictive Disorders; Opioids; Diphenylpropylamine Derivatives; Drugs Used in Opioid Dependence; 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; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Antiemetics Antagonists; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of dry cough, drug withdrawal syndrome, opioid type drug dependence, and pain. |
| FDBD00336 | Nabumetone |
|
Cyclooxygenase 2 Inhibitors; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | For acute and chronic treatment of signs and symptoms of osteoarthritis and rheumatoid arthritis. |
| FDBD00547 | Warfarin |
|
Anticoagulants; Rodenticides; Antithrombotic Agents; Blood and Blood Forming Organs; Vitamin K Antagonists; 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; CYP3A4 Inhibitors; | For the treatment of retinal vascular occlusion, pulmonary embolism, cardiomyopathy, atrial fibrillation and flutter, cerebral embolism, transient cerebral ischaemia, arterial embolism and thrombosis. |
| FDBD00668 | Pentoxifylline |
|
Platelet Aggregation Inhibitors; Phosphodiesterase Inhibitors; Vasodilator Agents; Free Radical Scavengers; Radiation-Protective Agents; Hematologic Agents; Hemorrheologic Agents; Cardiovascular System; Peripheral Vasodilators; Purine Derivatives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | For the treatment of patients with intermittent lameness or immobility arising from chronic occlusive arterial disease of the limbs. |
| FDBD01193 | Acenocoumarol |
|
Anticoagulants; Antithrombotic Agents; Blood and Blood Forming Organs; Vitamin K Antagonists; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | For the treatment and prevention of thromboembolic diseases. More specifically, it is indicated for the for the prevention of cerebral embolism, deep vein thrombosis, pulmonary embolism, thromboembolism in infarction and transient ischemic attacks. It is used for the treatment of deep vein thrombosis and myocardial infarction. |
| FDBD02056 | kelevan |
|
Insecticide | Insecticide |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ntf_ligand_3_155.mol2 | 2ntf | 1 | -6.18 | CCC(=O)C | 5 |
| 2wuf_ligand_2_4.mol2 | 2wuf | 1 | -6.03 | CCC(=O)C | 5 |
| 3as2_ligand_2_18.mol2 | 3as2 | 1 | -6.03 | C(=O)(C)CC | 5 |
| 3aru_ligand_2_0.mol2 | 3aru | 1 | -6.02 | CCC(=O)C | 5 |
| 2q3z_ligand_2_46.mol2 | 2q3z | 1 | -6.00 | CCC(=O)C | 5 |
| 3arr_ligand_2_0.mol2 | 3arr | 1 | -6.00 | CC(=O)CC | 5 |
102 ,
11
