Common name
methanesulfonic acid
IUPAC name
methanesulfonic acid
SMILES
CS(=O)(=O)O
Common name
methanesulfonic acid
IUPAC name
methanesulfonic acid
SMILES
CS(=O)(=O)O
INCHI
InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
FORMULA
CH4O3S
Common name
methanesulfonic acid
IUPAC name
methanesulfonic acid
Molecular weight
96.106
clogP
0.015
clogS
0.469
Frequency
0.0038
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
54.37
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00524 | Acamprosate |
|
Alcohol Deterrents; Nervous System; Drugs Used in Addictive Disorders; Drugs Used in Alcohol Dependence; | For the maintenance of abstinence from alcohol in patients with alcohol dependence who are abstinent at treatment initiation. |
| FDBD00862 | Busulfan |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Myeloablative Agonists; Antineoplastic and Immunomodulating Agents; Alkyl Sulfonates; CYP3A4 Inhibitors; | For use in combination with cyclophosphamide as a conditioning regimen prior to allogeneic hematopoietic progenitor cell transplantation for chronic myelogenous (myeloid, myelocytic, granulocytic) leukemia (FDA has designated busulfan as an orphan drug for this use). It is also used as a component of pretransplant conditioning regimens in patients undergoing bone marrow transplantation for acute myeloid leukemia and nonmalignant diseases. |
| FDBD00892 | Hydroxystilbamidine Isethionate |
|
Antimalarials; Anti-trypanosomal Agents; Antimycotic Agents; | Used in the treatment of nonprogressive blastomycosis of the skin and other mycoses. |
| FDBD00901 | Ergoloid mesylate |
|
Nootropic Agents; Vasodilator Agents; Dopamine Agonists; Adrenergic alpha-Antagonists; Cardiovascular System; Ergot Alkaloids; Peripheral Vasodilators; CYP3A4 Inhibitors; | For use as an adjunct therapy for patients with dementia. |
| FDBD00960 | Colistimethate |
|
Anti-Bacterial Agents; | For the treatment of acute or chronic infections due to sensitive strains of certain gram-negative bacilli, particularly . |
| FDBD01134 | Cefonicid |
|
Anti-Bacterial Agents; Cephalosporins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Second-Generation Cephalosporins; | For the treatment of bacterial infections caused by susceptible microorganisms. |
| FDBD01539 | Tauroursodeoxycholic acid |
|
Antiviral Agents; Cholagogues and Choleretics; Cholesterol Absorption Inhibitors; | Used in the treatment of cholesterol gallstones. Tauroursodeoxycholic acid is also being investigated for use in several conditions such as Primary Biliary Cirrhosis (PBC), insulin resistance, amyloidosis, Cystic Fibrosis, Cholestasis, and Amyotrophic Lateral Sclerosis. |
| FDBD01597 | Dimetotiazine |
|
Analgesics; Nervous System; Antimigraine Preparations; | |
| FDBD01684 | Mesna |
|
Mucolytics; Cough and Cold Preparations; Respiratory System; Detoxifying Agents for Antineoplastic Treatment; Protective Agents; | Used therapeutically to reduce the incidence of haemorrhagic cystitis and haematuria when a patient receives ifosfamide or cyclophosphamide for cancer chemotherapy. Also used as a mucolytic agent. |
| FDBD02339 | jiahuangchongzong |
|
Insecticide | Insecticide |
11 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dg9_ligand_1_4.mol2 | 1dg9 | 1 | -6.15 | S(=O)(=O)(O)C | 5 |
| 1d1p_ligand_1_4.mol2 | 1d1p | 1 | -6.13 | CS(=O)(=O)O | 5 |
| 3f81_ligand_frag_0.mol2 | 3f81 | 1 | -6.06 | O=S(=O)(O)C | 5 |
| 4fpf_ligand_frag_1.mol2 | 4fpf | 1 | -5.69 | CS(=O)(=O)O | 5 |
| 2vw2_ligand_frag_2.mol2 | 2vw2 | 1 | -5.68 | CS(=O)(=O)O | 5 |
| 4fpk_ligand_frag_3.mol2 | 4fpk | 1 | -5.66 | CS(=O)(=O)O | 5 |
| 1m1b_ligand_frag_1.mol2 | 1m1b | 1 | -5.60 | CS(=O)(=O)O | 5 |
| 4hwb_ligand_frag_2.mol2 | 4hwb | 1 | -5.56 | CS(=O)(=O)O | 5 |
| 2jb5_ligand_frag_0.mol2 | 2jb5 | 1 | -5.55 | O=S(=O)(O)C | 5 |
163 ,
17
