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NCID-ZINC01760712

 MMsINC code: MMs02367126
Type: Neutral
Formula: C8H8Cl2O2S
SMILES:   ClC(Cl)S(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C8H8Cl2O2S/c1-6-2-4-7(5-3-6)13(11,12)8(9)10/h2-5,8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.8853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.122 g/mol  logS: -2.96654  SlogP: 2.94982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111869  Sterimol/B1: 3.49932  Sterimol/B2: 3.56486  Sterimol/B3: 3.61682
  Sterimol/B4: 3.61854  Sterimol/L: 11.2969 
 
 Surface and Volume Properties
  Accessible surface: 386.508  Positive charged surface: 140.604  Negative charged surface: 245.904  Volume: 187.75
  Hydrophobic surface: 215.306  Hydrophilic surface: 171.202
 
 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.