Common name
5,6-dihydro-4H-1,4λ3,2-oxathiazin-4-ol
IUPAC name
5,6-dihydro-4H-1,4l3,2-oxathiazin-4-ol
SMILES
C1=NOCC[S@]1O
Common name
5,6-dihydro-4H-1,4λ3,2-oxathiazin-4-ol
IUPAC name
5,6-dihydro-4H-1,4l3,2-oxathiazin-4-ol
SMILES
C1=NOCC[S@]1O
INCHI
InChI=1S/C3H6NO2S/c5-7-2-1-6-4-3-7/h3,5H,1-2H2
FORMULA
C3H6NO2S
Common name
5,6-dihydro-4H-1,4λ3,2-oxathiazin-4-ol
IUPAC name
5,6-dihydro-4H-1,4l3,2-oxathiazin-4-ol
Molecular weight
120.150
clogP
-0.048
clogS
0.245
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
41.82
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03240 | bethoxazin |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chg_ligand.mol2 | 3chg | 0.174603 | -5.99 | O=C(O)C[S](C)C | 8 |
| 3ad7_ligand.mol2 | 3ad7 | 0.174603 | -5.79 | O=C(O)CSC | 7 |
| 4qnu_ligand_3_31.mol2 | 4qnu | 0.174603 | -5.55 | [S](C)(CC(=O)O)C | 7 |
| 4wkp_ligand_4_175.mol2 | 4wkp | 0.169492 | -5.32 | CSCCO | 5 |
| 2fj0_ligand_3_116.mol2 | 2fj0 | 0.169492 | -5.22 | C(CO)SC | 5 |
| 1rhu_ligand_3_55.mol2 | 1rhu | 0.169492 | -5.02 | C(O)CSC | 5 |
| 2hxm_ligand_3_10.mol2 | 2hxm | 0.169492 | -5.02 | CCON=C | 5 |
117 ,
12
