Common name
acetone
IUPAC name
acetone
SMILES
CC(=O)C
Common name
acetone
IUPAC name
acetone
SMILES
CC(=O)C
INCHI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
FORMULA
C3H6O
Common name
acetone
IUPAC name
acetone
Molecular weight
58.079
clogP
0.192
clogS
-0.422
Frequency
0.0021
HBond Acceptor
1
HBond Donor
0
Total Polar
Surface Area
17.07
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
| FDBD01755 | Aranidipine |
|
; | For the treatment of hypertension. |
| FDBD02056 | kelevan |
|
Insecticide | Insecticide |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ntf_ligand_2_49.mol2 | 2ntf | 1 | -5.97 | CC(=O)C | 4 |
| 1d7j_ligand_1_0.mol2 | 1d7j | 1 | -5.92 | C(=O)(C)C | 4 |
| 3as2_ligand_1_5.mol2 | 3as2 | 1 | -5.90 | C(=O)(C)C | 4 |
| 3aru_ligand_1_0.mol2 | 3aru | 1 | -5.88 | CC(=O)C | 4 |
| 3arr_ligand_1_0.mol2 | 3arr | 1 | -5.87 | CC(=O)C | 4 |
| 2q3z_ligand_1_5.mol2 | 2q3z | 1 | -5.80 | CC(=O)C | 4 |
| 3bh3_ligand_1_0.mol2 | 3bh3 | 1 | -5.76 | CC(=O)C | 4 |
| 3cyz_ligand_1_0.mol2 | 3cyz | 1 | -5.69 | CC(=O)C | 4 |
| 3anq_ligand_1_2.mol2 | 3anq | 1 | -5.68 | CC(=O)C | 4 |
137 ,
14
