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PUBCHEM-ZINC00394879

 MMsINC code: MMs02672797
Type: Neutral
Formula: C7H4Cl4S
SMILES:   Clc1c(SC)c(Cl)c(Cl)cc1Cl
InChI:   InChI=1/C7H4Cl4S/c1-12-7-5(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)=37.3782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.987 g/mol  logS: -5.34344  SlogP: 5.0221  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0716606  Sterimol/B1: 2.06267  Sterimol/B2: 3.7382  Sterimol/B3: 4.75074
  Sterimol/B4: 4.75343  Sterimol/L: 10.3096 
 
 Surface and Volume Properties
  Accessible surface: 380.819  Positive charged surface: 87.4013  Negative charged surface: 293.418  Volume: 190.125
  Hydrophobic surface: 350.658  Hydrophilic surface: 30.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.