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PUBCHEM-ZINC06116156

 MMsINC code: MMs03545039
Type: Neutral
Formula: C12H6Cl4S
SMILES:   Clc1c(Cl)c(Sc2ccccc2)cc(Cl)c1Cl
InChI:   InChI=1/C12H6Cl4S/c13-8-6-9(11(15)12(16)10(8)14)17-7-4-2-1-3-5-7/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.7203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.058 g/mol  logS: -7.1673  SlogP: 6.4514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122799  Sterimol/B1: 3.60636  Sterimol/B2: 3.71347  Sterimol/B3: 4.68641
  Sterimol/B4: 5.48561  Sterimol/L: 13.4551 
 
 Surface and Volume Properties
  Accessible surface: 474.033  Positive charged surface: 138.119  Negative charged surface: 335.914  Volume: 250.125
  Hydrophobic surface: 446.611  Hydrophilic surface: 27.422
 
 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.