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PUBCHEM-ZINC06019524

 MMsINC code: MMs03494843
Type: Neutral
Formula: C7H4Cl4O2S
SMILES:   Clc1c(S(=O)(=O)C)c(Cl)c(Cl)cc1Cl
InChI:   InChI=1/C7H4Cl4O2S/c1-14(12,13)7-5(10)3(8)2-4(9)6(7)11/h2H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.6028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.985 g/mol  logS: -4.46273  SlogP: 3.7037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12487  Sterimol/B1: 2.04464  Sterimol/B2: 4.09286  Sterimol/B3: 4.74598
  Sterimol/B4: 4.74729  Sterimol/L: 10.3512 
 
 Surface and Volume Properties
  Accessible surface: 386.583  Positive charged surface: 87.9045  Negative charged surface: 298.679  Volume: 196
  Hydrophobic surface: 334.447  Hydrophilic surface: 52.136
 
 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.