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OAKWOOD-ZINC04290125

 MMsINC code: MMs02550848
Type: Neutral
Formula: C7H2Cl4OS
SMILES:   Clc1cc(Cl)cc(Cl)c1SC(Cl)=O
InChI:   InChI=1/C7H2Cl4OS/c8-3-1-4(9)6(5(10)2-3)13-7(11)12/h1-2H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.1788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.97 g/mol  logS: -5.8177  SlogP: 5.0977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0791418  Sterimol/B1: 3.19384  Sterimol/B2: 3.28066  Sterimol/B3: 3.55154
  Sterimol/B4: 5.95146  Sterimol/L: 12.5934 
 
 Surface and Volume Properties
  Accessible surface: 396.233  Positive charged surface: 51.5614  Negative charged surface: 344.671  Volume: 189.125
  Hydrophobic surface: 264.498  Hydrophilic surface: 131.735
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.