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 |
|---|---|---|---|---|
| FDBD02821 | rimsulfuron |
|
Herbicide | Herbicide |
| FDBD02823 | sulfosulfuron |
|
Herbicide | Herbicide |
| FDBD02838 | buthiuron |
|
Herbicide | Herbicide |
| FDBD02839 | ethidimuron |
|
Herbicide | Herbicide |
| FDBD03247 | ethylicin |
|
Fungicide | Fungicide |
| FDBD03267 | sultropen |
|
Fungicide | Fungicide |
16 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b92_ligand_2_18.mol2 | 3b92 | 1 | -5.53 | CC[S](O)O | 5 |
| 1exw_ligand_2_0.mol2 | 1exw | 1 | -5.51 | [S](O)(O)CC | 5 |
| 2viy_ligand_2_82.mol2 | 2viy | 1 | -5.39 | [S](O)(O)CC | 5 |
| 1mem_ligand_2_38.mol2 | 1mem | 1 | -5.37 | [S](O)(O)CC | 5 |
| 2hiz_ligand_2_76.mol2 | 2hiz | 1 | -5.37 | CC[S](O)O | 5 |
| 3bwk_ligand_2_51.mol2 | 3bwk | 1 | -5.37 | C(C)[S](O)O | 5 |
| 3hd3_ligand_2_10.mol2 | 3hd3 | 1 | -5.37 | C(C)[S](O)O | 5 |
228 ,
23
