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APOLLO-ZINC00154130

 MMsINC code: MMs00044273
Type: Neutral
Formula: C7H6Cl2O2S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)C
InChI:   InChI=1/C7H6Cl2O2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.8498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.095 g/mol  logS: -2.99415  SlogP: 2.3969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110854  Sterimol/B1: 2.39737  Sterimol/B2: 4.33909  Sterimol/B3: 4.35544
  Sterimol/B4: 4.40571  Sterimol/L: 10.5616 
 
 Surface and Volume Properties
  Accessible surface: 359.277  Positive charged surface: 111.799  Negative charged surface: 247.478  Volume: 171.125
  Hydrophobic surface: 297.211  Hydrophilic surface: 62.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.