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ASINEX-ZINC04305432

 MMsINC code: MMs00323768
Type: Neutral
Formula: C10H7Cl2NO2S2
SMILES:   Clc1ccc(Cl)cc1NS(=O)(=O)c1sccc1
InChI:   InChI=1/C10H7Cl2NO2S2/c11-7-3-4-8(12)9(6-7)13-17(14,15)10-2-1-5-16-10/h1-6,13H

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Potential Energy
Epot(MMFF94)=43.6173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.209 g/mol  logS: -4.48031  SlogP: 3.8557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.269647  Sterimol/B1: 3.5475  Sterimol/B2: 3.92613  Sterimol/B3: 5.09145
  Sterimol/B4: 5.56566  Sterimol/L: 11.1038 
 
 Surface and Volume Properties
  Accessible surface: 448.192  Positive charged surface: 134.922  Negative charged surface: 313.27  Volume: 230.75
  Hydrophobic surface: 369.971  Hydrophilic surface: 78.221
 
 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.