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PUBCHEM-ZINC01534969

 MMsINC code: MMs02813867
Type: Neutral
Formula: C20H14Cl4O6
SMILES:   Clc1cc(O)cc(Cl)c1Oc1cc(OC)cc(Oc2c(Cl)cc(O)cc2Cl)c1OC
InChI:   InChI=1/C20H14Cl4O6/c1-27-11-7-16(29-18-12(21)3-9(25)4-13(18)22)20(28-2)17(8-11)30-19-14(23)5-10(26)6-15(19)24/h3-8,25-26H,1-2H3

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Potential Energy
Epot(MMFF94)=121.719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.138 g/mol  logS: -7.26432  SlogP: 7.3132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0893174  Sterimol/B1: 2.53162  Sterimol/B2: 3.5985  Sterimol/B3: 5.75704
  Sterimol/B4: 9.33043  Sterimol/L: 18.2763 
 
 Surface and Volume Properties
  Accessible surface: 665.931  Positive charged surface: 324.63  Negative charged surface: 341.302  Volume: 390.25
  Hydrophobic surface: 542.114  Hydrophilic surface: 123.817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.