Common name
BLAH
IUPAC name
BLAH
SMILES
S(=O)O
Common name
BLAH
IUPAC name
BLAH
SMILES
S(=O)O
INCHI
InChI=1S/HO2S/c1-3-2/h(H,1,2)
FORMULA
HO2S
Common name
BLAH
IUPAC name
BLAH
Molecular weight
66.080
clogP
-2.569
clogS
0.833
Frequency
0.0244
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
0
71 ,
8
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yjc_ligand_frag_0.mol2 | 2yjc | 1 | -5.09 | S(=O)O | 3 |
| 4bs5_ligand_frag_2.mol2 | 4bs5 | 1 | -5.09 | S(=O)O | 3 |
| 4op1_ligand_frag_1.mol2 | 4op1 | 1 | -5.09 | S(=O)O | 3 |
| 4v24_ligand_frag_0.mol2 | 4v24 | 1 | -5.08 | OS=O | 3 |
| 4lvt_ligand_frag_15.mol2 | 4lvt | 1 | -5.05 | O=SO | 3 |
| 5cyi_ligand_frag_4.mol2 | 5cyi | 1 | -5.05 | O=SO | 3 |
| 4l4m_ligand_frag_4.mol2 | 4l4m | 1 | -5.04 | S(=O)O | 3 |
| 4kfp_ligand_frag_4.mol2 | 4kfp | 1 | -5.03 | S(=O)O | 3 |
| 4l4l_ligand_frag_6.mol2 | 4l4l | 1 | -5.03 | S(=O)O | 3 |
143 ,
15
