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SIAL-ZINC04533073

 MMsINC code: MMs03918546
Type: Neutral
Formula: C8H10O4S2
SMILES:   S(O)(=O)c1cc(cc(S(O)=O)c1C)C
InChI:   InChI=1/C8H10O4S2/c1-5-3-7(13(9)10)6(2)8(4-5)14(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)

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Potential Energy
Epot(MMFF94)=59.5996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.296 g/mol  logS: -2.41837  SlogP: 0.33324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0750534  Sterimol/B1: 1.969  Sterimol/B2: 3.21792  Sterimol/B3: 3.22152
  Sterimol/B4: 7.74763  Sterimol/L: 11.8006 
 
 Surface and Volume Properties
  Accessible surface: 400.692  Positive charged surface: 227.568  Negative charged surface: 173.124  Volume: 186.125
  Hydrophobic surface: 202.769  Hydrophilic surface: 197.923
 
 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


MMs03918547
SIAL-ZINC04533073