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PUBCHEM-ZINC03125271

 MMsINC code: MMs02997654
Type: Neutral
Formula: C13H13ClN2O4S2
SMILES:   Clc1ccc(NC(=O)c2sccc2OS(=O)(=O)N(C)C)cc1
InChI:   InChI=1/C13H13ClN2O4S2/c1-16(2)22(18,19)20-11-7-8-21-12(11)13(17)15-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=69.9609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.842 g/mol  logS: -3.94217  SlogP: 2.839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141989  Sterimol/B1: 2.3343  Sterimol/B2: 3.75233  Sterimol/B3: 3.99705
  Sterimol/B4: 7.8692  Sterimol/L: 14.6252 
 
 Surface and Volume Properties
  Accessible surface: 519.493  Positive charged surface: 245.938  Negative charged surface: 273.555  Volume: 286.375
  Hydrophobic surface: 430.762  Hydrophilic surface: 88.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.