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OAKWOOD-ZINC04242531

 MMsINC code: MMs02548622
Type: Neutral
Formula: C7H3Cl2FOS
SMILES:   Clc1cc(F)ccc1SC(Cl)=O
InChI:   InChI=1/C7H3Cl2FOS/c8-5-3-4(10)1-2-6(5)12-7(9)11/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.5544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.07 g/mol  logS: -4.6441  SlogP: 3.93  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744463  Sterimol/B1: 2.69282  Sterimol/B2: 3.09803  Sterimol/B3: 3.31513
  Sterimol/B4: 5.58105  Sterimol/L: 11.6547 
 
 Surface and Volume Properties
  Accessible surface: 358.895  Positive charged surface: 85.8119  Negative charged surface: 273.083  Volume: 163.875
  Hydrophobic surface: 218.598  Hydrophilic surface: 140.297
 
 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.