Common name
acetic acid
IUPAC name
acetic acid
SMILES
CC(=O)O
Common name
acetic acid
IUPAC name
acetic acid
SMILES
CC(=O)O
INCHI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
FORMULA
C2H4O2
Common name
acetic acid
IUPAC name
acetic acid
Molecular weight
60.052
clogP
-0.484
clogS
0.534
Frequency
0.0687
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00001 | Bivalirudin |
|
Antithrombins; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; | For treatment of heparin-induced thrombocytopenia and for the prevention of thrombosis. |
| FDBD00009 | Tetrahydrofolic acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00014 | Biotin |
|
Vitamin B Complex; Vitamins; Dietary Supplements; Micronutrients; Supplements; Alimentary Tract and Metabolism; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00020 | L-Aspartic Acid |
|
Dietary Supplements; Micronutrients; Supplements; Non-Essential Amino Acids; | There is no support for the claim that aspartates are exercise performance enhancers, i.e. ergogenic aids. |
| FDBD00024 | Alpha-Linolenic Acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation and for treating dietary shortage or imbalance. |
| FDBD00031 | Succinic acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00034 | Glutathione |
|
Antidotes; Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00039 | Creatine |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00045 | Dihomo-gamma-linolenic acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00048 | Folic Acid |
|
Hematinics; Vitamin B Complex; Dietary Supplements; Micronutrients; Iron Preparations; Supplements; Blood and Blood Forming Organs; Antianemic Preparations; Vitamin B12 and Folic Acid; Folic Acid and Derivatives; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For treatment of folic acid deficiency, megaloblastic anemia and in anemias of nutritional supplements, pregnancy, infancy, or childhood. |
200 ,
21
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sw2_ligand_frag_1.mol2 | 1sw2 | 1 | -5.91 | CC(=O)O | 4 |
| 2h5j_ligand_frag_16.mol2 | 2h5j | 1 | -5.91 | CC(=O)O | 4 |
| 2zn7_ligand_frag_5.mol2 | 2zn7 | 1 | -5.91 | CC(=O)O | 4 |
| 1pau_ligand_frag_13.mol2 | 1pau | 1 | -5.90 | CC(=O)O | 4 |
| 2avi_ligand_frag_0.mol2 | 2avi | 1 | -5.90 | C(=O)(O)C | 4 |
| 2ay4_ligand_frag_0.mol2 | 2ay4 | 1 | -5.90 | CC(=O)O | 4 |
| 2h4g_ligand_frag_3.mol2 | 2h4g | 1 | -5.90 | CC(=O)O | 4 |
1717 ,
172
