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OAKWOOD-ZINC04242533

 MMsINC code: MMs02548623
Type: Neutral
Formula: C7H3Cl2FOS
SMILES:   Clc1cccc(F)c1SC(Cl)=O
InChI:   InChI=1/C7H3Cl2FOS/c8-4-2-1-3-5(10)6(4)12-7(9)11/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.2262 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: 0.079801  Sterimol/B1: 2.91236  Sterimol/B2: 3.55986  Sterimol/B3: 3.89703
  Sterimol/B4: 4.72169  Sterimol/L: 11.403 
 
 Surface and Volume Properties
  Accessible surface: 358.138  Positive charged surface: 83.2932  Negative charged surface: 274.845  Volume: 162.5
  Hydrophobic surface: 220.657  Hydrophilic surface: 137.481
 
 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.