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PUBCHEM-ZINC00172858

 MMsINC code: MMs02636294
Type: Neutral
Formula: C11H9NO3S2
SMILES:   s1cccc1S(=O)(=O)NC(=O)c1ccccc1
InChI:   InChI=1/C11H9NO3S2/c13-11(9-5-2-1-3-6-9)12-17(14,15)10-7-4-8-16-10/h1-8H,(H,12,13)

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Potential Energy
Epot(MMFF94)=22.7293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.329 g/mol  logS: -3.54297  SlogP: 1.8668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107131  Sterimol/B1: 2.93677  Sterimol/B2: 3.74446  Sterimol/B3: 4.89599
  Sterimol/B4: 5.05024  Sterimol/L: 13.1516 
 
 Surface and Volume Properties
  Accessible surface: 445.374  Positive charged surface: 182.528  Negative charged surface: 262.846  Volume: 220.75
  Hydrophobic surface: 348.157  Hydrophilic surface: 97.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.