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PUBCHEM-ZINC05783821

 MMsINC code: MMs03384482
Type: Neutral
Formula: C7H2Cl4O2
SMILES:   Clc1cc(Cl)c(Cl)cc1OC(Cl)=O
InChI:   InChI=1/C7H2Cl4O2/c8-3-1-5(10)6(2-4(3)9)13-7(11)12/h1-2H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.2533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.903 g/mol  logS: -4.75515  SlogP: 4.3844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0531055  Sterimol/B1: 2.22508  Sterimol/B2: 3.24611  Sterimol/B3: 3.51751
  Sterimol/B4: 5.80723  Sterimol/L: 12.3456 
 
 Surface and Volume Properties
  Accessible surface: 387.162  Positive charged surface: 61.8535  Negative charged surface: 325.308  Volume: 177.875
  Hydrophobic surface: 265.71  Hydrophilic surface: 121.452
 
 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.