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SIAL-ZINC04533073

 MMsINC code: MMs03918547
Type: Ionized
Formula: C8H8O4S2-2
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)/p-2

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Potential Energy
Epot(MMFF94)=36.9424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -2.56141  SlogP: 0.77944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0977476  Sterimol/B1: 3.02777  Sterimol/B2: 3.14544  Sterimol/B3: 5.15991
  Sterimol/B4: 5.21119  Sterimol/L: 9.79118 
 
 Surface and Volume Properties
  Accessible surface: 392.745  Positive charged surface: 179.146  Negative charged surface: 213.598  Volume: 185.75
  Hydrophobic surface: 246.966  Hydrophilic surface: 145.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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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MMs03918546
SIAL-ZINC04533073