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PUBCHEM-ZINC05847661

 MMsINC code: MMs03414702
Type: Neutral
Formula: C12H10O4S
SMILES:   S(=O)(=O)(c1ccccc1O)c1ccccc1O
InChI:   InChI=1/C12H10O4S/c13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14/h1-8,13-14H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.8254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.274 g/mol  logS: -2.62553  SlogP: 1.9306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187003  Sterimol/B1: 2.13171  Sterimol/B2: 3.70599  Sterimol/B3: 4.28752
  Sterimol/B4: 5.17431  Sterimol/L: 11.9759 
 
 Surface and Volume Properties
  Accessible surface: 412.589  Positive charged surface: 200.67  Negative charged surface: 211.919  Volume: 216.25
  Hydrophobic surface: 299.007  Hydrophilic surface: 113.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.