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PUBCHEM-ZINC05438393

 MMsINC code: MMs03269367
Type: Neutral
Formula: C8H4Cl4OS
SMILES:   Clc1c(SC(=O)C)c(Cl)c(Cl)cc1Cl
InChI:   InChI=1/C8H4Cl4OS/c1-3(13)14-8-6(11)4(9)2-5(10)7(8)12/h2H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.997 g/mol  logS: -5.73811  SlogP: 4.9388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597469  Sterimol/B1: 2.7927  Sterimol/B2: 3.67153  Sterimol/B3: 4.75094
  Sterimol/B4: 4.75188  Sterimol/L: 11.0923 
 
 Surface and Volume Properties
  Accessible surface: 422.251  Positive charged surface: 105.933  Negative charged surface: 316.318  Volume: 207.375
  Hydrophobic surface: 370.949  Hydrophilic surface: 51.302
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.