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PUBCHEM-ZINC01188087

 MMsINC code: MMs02785066
Type: Neutral
Formula: C13H12ClNO2S
SMILES:   Clc1ccc(cc1)CS(=O)(=O)Nc1ccccc1
InChI:   InChI=1/C13H12ClNO2S/c14-12-8-6-11(7-9-12)10-18(16,17)15-13-4-2-1-3-5-13/h1-9,15H,10H2

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Potential Energy
Epot(MMFF94)=42.5986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.763 g/mol  logS: -3.72505  SlogP: 3.5483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110858  Sterimol/B1: 3.15325  Sterimol/B2: 3.39226  Sterimol/B3: 4.32893
  Sterimol/B4: 5.31022  Sterimol/L: 14.7667 
 
 Surface and Volume Properties
  Accessible surface: 478.601  Positive charged surface: 223.239  Negative charged surface: 255.362  Volume: 245.625
  Hydrophobic surface: 402.938  Hydrophilic surface: 75.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.