Common name
1-(dihydroxy-λ3-sulfanyl)-1,1,2,2,3,3-hexafluoropropane
IUPAC name
1-(dihydroxy-λ3-sulfanyl)-1,1,2,2,3,3-hexafluoropropane
SMILES
[S](O)(O)C(F)(F)C(F)(F)C(F)F
Common name
1-(dihydroxy-λ3-sulfanyl)-1,1,2,2,3,3-hexafluoropropane
IUPAC name
1-(dihydroxy-λ3-sulfanyl)-1,1,2,2,3,3-hexafluoropropane
SMILES
[S](O)(O)C(F)(F)C(F)(F)C(F)F
INCHI
InChI=1S/C3H3F6O2S/c4-1(5)2(6,7)3(8,9)12(10)11/h1,10-11H
FORMULA
C3H3F6O2S
Common name
1-(dihydroxy-λ3-sulfanyl)-1,1,2,2,3,3-hexafluoropropane
IUPAC name
1-(dihydroxy-λ3-sulfanyl)-1,1,2,2,3,3-hexafluoropropane
Molecular weight
217.110
clogP
0.573
clogS
-0.673
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01926 | flursulamid |
|
Insecticide | Insecticide |
| FDBD01929 | sulfluramid |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ow2_ligand_2_7.mol2 | 2ow2 | 0.583333 | -5.23 | [S](O)(O)CC(F)F | 7 |
| 1exw_ligand_3_0.mol2 | 1exw | 0.458333 | -5.75 | C(C)C[S](O)O | 6 |
| 2hm1_ligand_3_12.mol2 | 2hm1 | 0.458333 | -5.45 | C(CC)[S](O)O | 6 |
| 2viy_ligand_3_357.mol2 | 2viy | 0.458333 | -5.35 | [S](O)(O)CCC | 6 |
| 1mem_ligand_3_164.mol2 | 1mem | 0.458333 | -5.34 | [S](O)(O)CCC | 6 |
| 3hd3_ligand_3_45.mol2 | 3hd3 | 0.458333 | -5.34 | C(CC)[S](O)O | 6 |
| 3bwk_ligand_3_170.mol2 | 3bwk | 0.458333 | -5.33 | CCC[S](O)O | 6 |
150 ,
16
