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APOLLO-ZINC00090873

 MMsINC code: MMs00042591
Type: Neutral
Formula: C6H5Cl2NO2S
SMILES:   Clc1cc(S(=O)(=O)N)cc(Cl)c1
InChI:   InChI=1/C6H5Cl2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-9.95608 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: 0.103264  Sterimol/B1: 2.83071  Sterimol/B2: 3.18033  Sterimol/B3: 3.54858
  Sterimol/B4: 5.94224  Sterimol/L: 10.0397 
 
 Surface and Volume Properties
  Accessible surface: 363.73  Positive charged surface: 108.369  Negative charged surface: 255.361  Volume: 163.375
  Hydrophobic surface: 233.182  Hydrophilic surface: 130.548
 
 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


MMs00042592
APOLLO-ZINC00090873