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PUBCHEM-ZINC03653275

 MMsINC code: MMs03034769
Type: Neutral
Formula: C13H9Cl3O2S
SMILES:   Clc1cc(S(=O)(=O)C)c(Cl)cc1-c1ccccc1Cl
InChI:   InChI=1/C13H9Cl3O2S/c1-19(17,18)13-7-11(15)9(6-12(13)16)8-4-2-3-5-10(8)14/h2-7H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.7197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.638 g/mol  logS: -6.15482  SlogP: 4.7173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0718137  Sterimol/B1: 2.85617  Sterimol/B2: 3.09686  Sterimol/B3: 4.42188
  Sterimol/B4: 5.27597  Sterimol/L: 14.5108 
 
 Surface and Volume Properties
  Accessible surface: 484.083  Positive charged surface: 167.768  Negative charged surface: 314.64  Volume: 261
  Hydrophobic surface: 422.017  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.