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PUBCHEM-ZINC05783673

 MMsINC code: MMs03384414
Type: Neutral
Formula: C6H2Cl4S2
SMILES:   Clc1c(S)c(S)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C6H2Cl4S2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.4639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.026 g/mol  logS: -6.358  SlogP: 4.8776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0568937  Sterimol/B1: 2.32867  Sterimol/B2: 2.49106  Sterimol/B3: 4.45518
  Sterimol/B4: 5.83849  Sterimol/L: 9.66205 
 
 Surface and Volume Properties
  Accessible surface: 380.142  Positive charged surface: 85.4874  Negative charged surface: 294.655  Volume: 187.25
  Hydrophobic surface: 302.453  Hydrophilic surface: 77.689
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.