Common name
(dihydroxy-λ3-sulfanyl)cyclopropane
IUPAC name
(dihydroxy-λ3-sulfanyl)cyclopropane
SMILES
C1(CC1)[S](O)O
Common name
(dihydroxy-λ3-sulfanyl)cyclopropane
IUPAC name
(dihydroxy-λ3-sulfanyl)cyclopropane
SMILES
C1(CC1)[S](O)O
INCHI
InChI=1S/C3H7O2S/c4-6(5)3-1-2-3/h3-5H,1-2H2
FORMULA
C3H7O2S
Common name
(dihydroxy-λ3-sulfanyl)cyclopropane
IUPAC name
(dihydroxy-λ3-sulfanyl)cyclopropane
Molecular weight
107.151
clogP
-1.190
clogS
0.624
Frequency
0.0010
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01406 | Simeprevir |
|
Simeprevir is indicated in patient's with hepatitis C virus (HCV) genotype 1 for the treatment of chronic hepatitis as a combination therapy, which includes peginterferon alfa and ribavirin. | |
| FDBD01794 | Paritaprevir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | For use in combination with ombitasvir, ritonavir and dasabuvir for the treatment of HCV genotype 1, and with ombitasvir and ritonavir for the treatment of HCV genotype 4. |
| FDBD01837 | Grazoprevir |
|
; |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1exw_ligand_3_0.mol2 | 1exw | 0.916667 | -5.75 | C(C)C[S](O)O | 6 |
| 2hm1_ligand_3_12.mol2 | 2hm1 | 0.916667 | -5.45 | C(CC)[S](O)O | 6 |
| 2viy_ligand_3_357.mol2 | 2viy | 0.916667 | -5.35 | [S](O)(O)CCC | 6 |
| 1mem_ligand_3_164.mol2 | 1mem | 0.916667 | -5.34 | [S](O)(O)CCC | 6 |
| 3hd3_ligand_3_45.mol2 | 3hd3 | 0.916667 | -5.34 | C(CC)[S](O)O | 6 |
| 3bwk_ligand_3_170.mol2 | 3bwk | 0.916667 | -5.33 | CCC[S](O)O | 6 |
| 1npz_ligand_3_170.mol2 | 1npz | 0.916667 | -5.30 | CCC[S](O)O | 6 |
117 ,
12
