Common name
2,2,2-trifluoroethanethiol
IUPAC name
2,2,2-trifluoroethanethiol
SMILES
C(S)C(F)(F)F
Common name
2,2,2-trifluoroethanethiol
IUPAC name
2,2,2-trifluoroethanethiol
SMILES
C(S)C(F)(F)F
INCHI
InChI=1S/C2H3F3S/c3-2(4,5)1-6/h6H,1H2
FORMULA
C2H3F3S
Common name
2,2,2-trifluoroethanethiol
IUPAC name
2,2,2-trifluoroethanethiol
Molecular weight
116.105
clogP
1.854
clogS
-1.227
Frequency
0.0003
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
38.8
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01130 | Polythiazide |
|
Antihypertensive Agents; Diuretics; Sodium Chloride Symporter Inhibitors; Cardiovascular System; Thiazides, Plain; Low-Ceiling Diuretics, Thiazides; | Polythiazide is a thiazide diuretic used to decrease edema and decrease blood pressure. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ow2_ligand_2_7.mol2 | 2ow2 | 0.642857 | -5.23 | [S](O)(O)CC(F)F | 7 |
| 4m3b_ligand_1_0.mol2 | 4m3b | 0.555556 | -5.90 | FC(F)(F)C | 5 |
| 4m3d_ligand_1_7.mol2 | 4m3d | 0.555556 | -5.90 | CC(F)(F)F | 5 |
| 4m3e_ligand_1_0.mol2 | 4m3e | 0.555556 | -5.90 | CC(F)(F)F | 5 |
| 4m3g_ligand_1_4.mol2 | 4m3g | 0.555556 | -5.86 | C(F)(F)(F)C | 5 |
| 2g71_ligand_1_4.mol2 | 2g71 | 0.555556 | -5.82 | C(F)(F)(F)C | 5 |
| 2hvc_ligand_1_3.mol2 | 2hvc | 0.555556 | -5.64 | CC(F)(F)F | 5 |
119 ,
12
