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ASINEX-ZINC00285135

 MMsINC code: MMs00108559
Type: Neutral
Formula: C12H10ClNO3S
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
InChI:   InChI=1/C12H10ClNO3S/c13-9-1-7-12(8-2-9)18(16,17)14-10-3-5-11(15)6-4-10/h1-8,14-15H

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Potential Energy
Epot(MMFF94)=35.2722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.735 g/mol  logS: -3.41906  SlogP: 2.8464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223398  Sterimol/B1: 2.42791  Sterimol/B2: 4.45798  Sterimol/B3: 5.31687
  Sterimol/B4: 5.68352  Sterimol/L: 12.5888 
 
 Surface and Volume Properties
  Accessible surface: 460.105  Positive charged surface: 207.252  Negative charged surface: 252.854  Volume: 235.125
  Hydrophobic surface: 327.55  Hydrophilic surface: 132.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.