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APOLLO-ZINC02243445

 MMsINC code: MMs00051300
Type: Neutral
Formula: C6H5Cl2NO2S
SMILES:   Clc1cc(Cl)ccc1S(=O)(=O)N
InChI:   InChI=1/C6H5Cl2NO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-4.83393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.083 g/mol  logS: -3.08007  SlogP: 1.6408  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887909  Sterimol/B1: 2.66156  Sterimol/B2: 2.68519  Sterimol/B3: 3.56725
  Sterimol/B4: 5.60969  Sterimol/L: 11.2422 
 
 Surface and Volume Properties
  Accessible surface: 354.281  Positive charged surface: 113.558  Negative charged surface: 240.723  Volume: 161.875
  Hydrophobic surface: 231.628  Hydrophilic surface: 122.653
 
 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


MMs00051301
APOLLO-ZINC02243445