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NCID-ZINC01693112

 MMsINC code: MMs02324708
Type: Neutral
Formula: C7H4Cl4S
SMILES:   Clc1cc(SC(Cl)(Cl)Cl)ccc1
InChI:   InChI=1/C7H4Cl4S/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.8478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.987 g/mol  logS: -5.60429  SlogP: 5.1797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522775  Sterimol/B1: 3.188  Sterimol/B2: 3.51436  Sterimol/B3: 3.51782
  Sterimol/B4: 5.91864  Sterimol/L: 11.3904 
 
 Surface and Volume Properties
  Accessible surface: 386.729  Positive charged surface: 69.2585  Negative charged surface: 317.471  Volume: 187.875
  Hydrophobic surface: 192.299  Hydrophilic surface: 194.43
 
 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.