Common name
(dihydroxy-λ3-sulfanyl)ethane
IUPAC name
(dihydroxy-λ3-sulfanyl)ethane
SMILES
C(C)[S](O)O
Common name
(dihydroxy-λ3-sulfanyl)ethane
IUPAC name
(dihydroxy-λ3-sulfanyl)ethane
SMILES
C(C)[S](O)O
INCHI
InChI=1S/C2H7O2S/c1-2-5(3)4/h3-4H,2H2,1H3
FORMULA
C2H7O2S
Common name
(dihydroxy-λ3-sulfanyl)ethane
IUPAC name
(dihydroxy-λ3-sulfanyl)ethane
Molecular weight
95.141
clogP
-1.711
clogS
0.452
Frequency
0.0055
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
| FDBD00104 | Eletriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the acute treatment of migraine with or without aura in adults. |
| FDBD00638 | Tirofiban |
|
Fibrinolytic Agents; Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; | For treatment, in combination with heparin, of acute coronary syndrome, including patients who are to be managed medically and those undergoing PTCA or atherectomy. |
| FDBD00768 | Tinidazole |
|
Antiprotozoal Agents; Anti-Infective Agents; Alkylating Agents; Antitrichomonal Agents; Alimentary Tract and Metabolism; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Imidazole Derivatives; Nitroimidazole Derivatives; CYP3A4 Inhibitors; | For the treatment of trichomoniasis caused by . |
| FDBD00807 | Naratriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; | For the acute treatment of migraine attacks with or without aura in adults. |
| FDBD01281 | Dalfopristin |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Streptogramins; CYP3A4 Inhibitors; | For the treatment of bacterial infections (usually in combination with quinupristin). |
| FDBD01405 | Amisulpride |
|
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides; | Investigated for use/treatment in schizophrenia and schizoaffective disorders, mania in bipolar disorder, and depression. |
| FDBD02093 | demeton-S-methylsulphon |
|
Insecticide | Insecticide |
| FDBD02333 | fluhexafon |
|
Insecticide | Insecticide |
| FDBD02473 | benfuresate |
|
Herbicide | Herbicide |
16 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3blt_ligand_1_2.mol2 | 3blt | 1 | -5.88 | C(C)[S](O)O | 5 |
| 3blu_ligand_1_0.mol2 | 3blu | 1 | -5.88 | [S](O)(O)CC | 5 |
| 4nie_ligand_1_10.mol2 | 4nie | 1 | -5.83 | [S](O)(O)CC | 5 |
| 4xt9_ligand_1_3.mol2 | 4xt9 | 1 | -5.81 | C(C)[S](O)O | 5 |
| 3bm8_ligand_1_2.mol2 | 3bm8 | 1 | -5.73 | [S](O)(O)CC | 5 |
| 2hhn_ligand_2_12.mol2 | 2hhn | 1 | -5.56 | O[S](O)CC | 5 |
| 2hh5_ligand_2_12.mol2 | 2hh5 | 1 | -5.53 | CC[S](O)O | 5 |
228 ,
23
