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ASINEX-ZINC00361251

 MMsINC code: MMs00124260
Type: Neutral
Formula: C13H11Cl2NO3S
SMILES:   Clc1cc(NS(=O)(=O)c2ccc(cc2)C)cc(Cl)c1O
InChI:   InChI=1/C13H11Cl2NO3S/c1-8-2-4-10(5-3-8)20(18,19)16-9-6-11(14)13(17)12(15)7-9/h2-7,16-17H,1H3

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Potential Energy
Epot(MMFF94)=41.5695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.207 g/mol  logS: -4.62727  SlogP: 3.80822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150754  Sterimol/B1: 3.18869  Sterimol/B2: 3.76726  Sterimol/B3: 4.27857
  Sterimol/B4: 7.19535  Sterimol/L: 13.4796 
 
 Surface and Volume Properties
  Accessible surface: 499.868  Positive charged surface: 212.723  Negative charged surface: 287.145  Volume: 265.25
  Hydrophobic surface: 378.489  Hydrophilic surface: 121.379
 
 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.