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PUBCHEM-ZINC03108787

 MMsINC code: MMs02995271
Type: Neutral
Formula: C13H12N2O4S2
SMILES:   S(=O)(=O)(N\C=N\S(=O)(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C13H12N2O4S2/c16-20(17,12-7-3-1-4-8-12)14-11-15-21(18,19)13-9-5-2-6-10-13/h1-11H,(H,14,15)

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Potential Energy
Epot(MMFF94)=-4.66447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.381 g/mol  logS: -3.84806  SlogP: 1.3821  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0846501  Sterimol/B1: 2.39649  Sterimol/B2: 3.54277  Sterimol/B3: 4.09744
  Sterimol/B4: 6.39075  Sterimol/L: 15.4138 
 
 Surface and Volume Properties
  Accessible surface: 532.984  Positive charged surface: 232.16  Negative charged surface: 300.824  Volume: 266.75
  Hydrophobic surface: 367.122  Hydrophilic surface: 165.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.