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MAYBRIDGE-ZINC00169176

 MMsINC code: MMs02145650
Type: Neutral
Formula: C7H5Cl3O
SMILES:   Clc1cc(Cl)c(Cl)cc1OC
InChI:   InChI=1/C7H5Cl3O/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.7061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.475 g/mol  logS: -3.63813  SlogP: 3.6554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0213928  Sterimol/B1: 2.37418  Sterimol/B2: 2.37592  Sterimol/B3: 4.96175
  Sterimol/B4: 5.24095  Sterimol/L: 11.091 
 
 Surface and Volume Properties
  Accessible surface: 360.533  Positive charged surface: 133.414  Negative charged surface: 227.119  Volume: 161.375
  Hydrophobic surface: 354.568  Hydrophilic surface: 5.965
 
 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.