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CHEMBLOCK-ZINC02923593

 MMsINC code: MMs00534527
Type: Neutral
Formula: C11H12O5S2
SMILES:   S(OC1C=CS(=O)(=O)C1)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C11H12O5S2/c1-9-2-4-11(5-3-9)18(14,15)16-10-6-7-17(12,13)8-10/h2-7,10H,8H2,1H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=39.069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.344 g/mol  logS: -2.78663  SlogP: 1.01102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112266  Sterimol/B1: 3.29418  Sterimol/B2: 3.37395  Sterimol/B3: 3.63839
  Sterimol/B4: 6.33148  Sterimol/L: 13.6629 
 
 Surface and Volume Properties
  Accessible surface: 459.646  Positive charged surface: 199.629  Negative charged surface: 260.017  Volume: 228.5
  Hydrophobic surface: 302.783  Hydrophilic surface: 156.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.