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PUBCHEM-ZINC00335061

 MMsINC code: MMs02657566
Type: Neutral
Formula: C11H10N2O4S2
SMILES:   S(=O)(=O)(c1ccccc1)c1ncc(S(=O)(=O)N)cc1
InChI:   InChI=1/C11H10N2O4S2/c12-19(16,17)10-6-7-11(13-8-10)18(14,15)9-4-2-1-3-5-9/h1-8H,(H2,12,16,17)

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Potential Energy
Epot(MMFF94)=42.9514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.343 g/mol  logS: -2.62916  SlogP: 0.5618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112017  Sterimol/B1: 2.65723  Sterimol/B2: 3.54903  Sterimol/B3: 4.07261
  Sterimol/B4: 5.7747  Sterimol/L: 14.4294 
 
 Surface and Volume Properties
  Accessible surface: 473.709  Positive charged surface: 219.798  Negative charged surface: 253.91  Volume: 235.25
  Hydrophobic surface: 270.915  Hydrophilic surface: 202.794
 
 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


MMs02657567
PUBCHEM-ZINC00335061