Common name
trifluoro(hydroxysulfanyl)methane
IUPAC name
trifluoro(hydroxysulfanyl)methane
SMILES
S(O)C(F)(F)F
Common name
trifluoro(hydroxysulfanyl)methane
IUPAC name
trifluoro(hydroxysulfanyl)methane
SMILES
S(O)C(F)(F)F
INCHI
InChI=1S/CHF3OS/c2-1(3,4)6-5/h5H
FORMULA
CHF3OS
Common name
trifluoro(hydroxysulfanyl)methane
IUPAC name
trifluoro(hydroxysulfanyl)methane
Molecular weight
118.078
clogP
2.382
clogS
-0.250
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
45.53
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02229 | fipronil |
|
Insecticide | Insecticide |
| FDBD02230 | flufiprole |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gto_ligand_1_8.mol2 | 4gto | 0.9 | -5.77 | [S](O)(O)C(F)(F)F | 7 |
| 4lvt_ligand_1_15.mol2 | 4lvt | 0.9 | -5.56 | C(F)(F)(F)[S](O)O | 7 |
| 4oho_ligand_1_4.mol2 | 4oho | 0.692308 | -5.61 | [S@@](O)(N)C(F)(F)F | 7 |
| 5alr_ligand_1_3.mol2 | 5alr | 0.666667 | -5.63 | C(F)(F)(F)S | 5 |
| 4gto_ligand_2_35.mol2 | 4gto | 0.642857 | -5.83 | S(=O)(=O)(O)C(F)(F)F | 8 |
| 1d7i_ligand_frag_0.mol2 | 1d7i | 0.444444 | -5.46 | S(O)C | 3 |
| 1cw2_ligand_1_1.mol2 | 1cw2 | 0.444444 | -5.45 | CSO | 3 |
| 4j03_ligand_1_5.mol2 | 4j03 | 0.444444 | -5.42 | S(O)C | 3 |
156 ,
16
