Common name
methylsulfonylbenzene
IUPAC name
methylsulfonylbenzene
SMILES
c1(ccccc1)S(=O)(=O)C
Common name
methylsulfonylbenzene
IUPAC name
methylsulfonylbenzene
SMILES
c1(ccccc1)S(=O)(=O)C
INCHI
InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
FORMULA
C7H8O2S
Common name
methylsulfonylbenzene
IUPAC name
methylsulfonylbenzene
Molecular weight
156.202
clogP
1.117
clogS
-1.938
Frequency
0.0014
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
34.14
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
| FDBD01277 | Etoricoxib |
|
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Coxibs; 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; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, chronic low back pain, acute pain and gout. |
| FDBD02511 | isoxaflutole |
|
Herbicide | Herbicide |
| FDBD02662 | pyrasulfotole |
|
Herbicide | Herbicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rak_ligand_1_0.mol2 | 4rak | 1 | -6.96 | CS(=O)(=O)c1ccccc1 | 10 |
| 4v24_ligand_2_0.mol2 | 4v24 | 1 | -6.89 | O=S(=O)(c1ccccc1)C | 10 |
| 2ayr_ligand_1_1.mol2 | 2ayr | 1 | -6.67 | c1ccc(cc1)S(=O)(=O)C | 10 |
| 3i28_ligand_1_0.mol2 | 3i28 | 1 | -6.67 | c1(ccccc1)S(=O)(=O)C | 10 |
| 2pjt_ligand_2_18.mol2 | 2pjt | 1 | -6.63 | S(=O)(=O)(C)c1ccccc1 | 10 |
| 2ow2_ligand_2_4.mol2 | 2ow2 | 1 | -6.60 | S(=O)(=O)(C)c1ccccc1 | 10 |
106 ,
11
