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PUBCHEM-ZINC00984436

 MMsINC code: MMs02749600
Type: Neutral
Formula: C11H10O2S2
SMILES:   s1cc(C)c(S(=O)(=O)c2ccccc2)c1
InChI:   InChI=1/C11H10O2S2/c1-9-7-14-8-11(9)15(12,13)10-5-3-2-4-6-10/h2-8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.1993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.331 g/mol  logS: -3.16365  SlogP: 2.88932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182877  Sterimol/B1: 2.32801  Sterimol/B2: 3.54854  Sterimol/B3: 4.18228
  Sterimol/B4: 6.04764  Sterimol/L: 11.6719 
 
 Surface and Volume Properties
  Accessible surface: 400.391  Positive charged surface: 159.252  Negative charged surface: 241.139  Volume: 207.125
  Hydrophobic surface: 345.046  Hydrophilic surface: 55.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.