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MAYBRIDGE-ZINC00165215

 MMsINC code: MMs02144945
Type: Neutral
Formula: C13H12ClNO4S2
SMILES:   Clc1ccc(S(=O)(=O)CCS(=O)(=O)c2ncccc2)cc1
InChI:   InChI=1/C13H12ClNO4S2/c14-11-4-6-12(7-5-11)20(16,17)9-10-21(18,19)13-3-1-2-8-15-13/h1-8H,9-10H2

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Potential Energy
Epot(MMFF94)=58.4771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.827 g/mol  logS: -3.24801  SlogP: 1.9826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443084  Sterimol/B1: 2.60974  Sterimol/B2: 3.59349  Sterimol/B3: 4.00529
  Sterimol/B4: 4.83649  Sterimol/L: 18.1219 
 
 Surface and Volume Properties
  Accessible surface: 539.977  Positive charged surface: 231.346  Negative charged surface: 308.631  Volume: 276.625
  Hydrophobic surface: 413.835  Hydrophilic surface: 126.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.