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PUBCHEM-ZINC06019847

 MMsINC code: MMs03495046
Type: Neutral
Formula: C7H4Cl4S
SMILES:   Clc1c(Cl)c(SC)cc(Cl)c1Cl
InChI:   InChI=1/C7H4Cl4S/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.7297 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: 0.0183875  Sterimol/B1: 2.3744  Sterimol/B2: 2.3757  Sterimol/B3: 5.11949
  Sterimol/B4: 5.20488  Sterimol/L: 11.2987 
 
 Surface and Volume Properties
  Accessible surface: 386.003  Positive charged surface: 90.2274  Negative charged surface: 295.775  Volume: 189.75
  Hydrophobic surface: 351.532  Hydrophilic surface: 34.471
 
 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.