Common name
1,1,1-trifluoro-2-methylsulfanyl-ethane
IUPAC name
1,1,1-trifluoro-2-methylsulfanyl-ethane
SMILES
CSCC(F)(F)F
Common name
1,1,1-trifluoro-2-methylsulfanyl-ethane
IUPAC name
1,1,1-trifluoro-2-methylsulfanyl-ethane
SMILES
CSCC(F)(F)F
INCHI
InChI=1S/C3H5F3S/c1-7-2-3(4,5)6/h2H2,1H3
FORMULA
C3H5F3S
Common name
1,1,1-trifluoro-2-methylsulfanyl-ethane
IUPAC name
1,1,1-trifluoro-2-methylsulfanyl-ethane
Molecular weight
130.132
clogP
1.887
clogS
-1.632
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
25.3
Number of Rings
0
Rotatable Bond
2
| 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 | 0.529412 | -5.23 | [S](O)(O)CC(F)F | 7 |
| 4eg4_ligand_2_2.mol2 | 4eg4 | 0.5 | -5.99 | CCSC | 4 |
| 4ega_ligand_2_2.mol2 | 4ega | 0.5 | -5.99 | CCSC | 4 |
| 4eg5_ligand_2_2.mol2 | 4eg5 | 0.5 | -5.98 | CCSC | 4 |
| 4eg6_ligand_2_2.mol2 | 4eg6 | 0.5 | -5.98 | C(SC)C | 4 |
| 4eg7_ligand_2_2.mol2 | 4eg7 | 0.5 | -5.95 | S(C)CC | 4 |
| 3f3d_ligand_2_2.mol2 | 3f3d | 0.5 | -5.91 | C(SC)C | 4 |
| 1pfy_ligand_2_13.mol2 | 1pfy | 0.5 | -5.88 | CCSC | 4 |
| 1pg2_ligand_2_2.mol2 | 1pg2 | 0.5 | -5.86 | CCSC | 4 |
143 ,
15
