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 |
|---|---|---|---|---|---|
| 4x8v_ligand_frag_8.mol2 | 4x8v | 1 | -4.90 | S(=O)O | 3 |
| 4yur_ligand_frag_1.mol2 | 4yur | 1 | -4.90 | O=SO | 3 |
| 1d6w_ligand_frag_6.mol2 | 1d6w | 1 | -4.89 | S(=O)O | 3 |
| 3gwt_ligand_frag_2.mol2 | 3gwt | 1 | -4.87 | S(=O)O | 3 |
| 4oas_ligand_frag_7.mol2 | 4oas | 1 | -4.86 | S(=O)O | 3 |
| 4occ_ligand_frag_6.mol2 | 4occ | 1 | -4.86 | S(=O)O | 3 |
| 4ogn_ligand_frag_7.mol2 | 4ogn | 1 | -4.82 | S(=O)O | 3 |
| 3m8q_ligand_frag_7.mol2 | 3m8q | 0.571429 | -5.18 | [S@@](=O)(O)C | 4 |
143 ,
15
