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 |
|---|---|---|---|---|---|
| 4ps1_ligand_frag_15.mol2 | 4ps1 | 1 | -5.96 | CC(=O)O | 4 |
| 1hyo_ligand_frag_0.mol2 | 1hyo | 1 | -5.95 | O=C(O)C | 4 |
| 2c1q_ligand_frag_0.mol2 | 2c1q | 1 | -5.95 | C(=O)(O)C | 4 |
| 2qbr_ligand_frag_3.mol2 | 2qbr | 1 | -5.95 | CC(=O)O | 4 |
| 2v25_ligand_frag_1.mol2 | 2v25 | 1 | -5.95 | CC(=O)O | 4 |
| 3gjt_ligand_frag_12.mol2 | 3gjt | 1 | -5.94 | CC(=O)O | 4 |
| 1f1j_ligand_frag_13.mol2 | 1f1j | 1 | -5.93 | CC(=O)O | 4 |
| 2h4k_ligand_frag_3.mol2 | 2h4k | 1 | -5.93 | CC(=O)O | 4 |
| 2qbp_ligand_frag_3.mol2 | 2qbp | 1 | -5.93 | CC(=O)O | 4 |
| 2ql9_ligand_frag_14.mol2 | 2ql9 | 1 | -5.93 | CC(=O)O | 4 |
1717 ,
172
