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PUBCHEM-ZINC05783943

 MMsINC code: MMs03384544
Type: Neutral
Formula: C12H4Cl6O2
SMILES:   Clc1c(O)c(Cl)cc(Oc2c(Cl)cc(Cl)cc2Cl)c1Cl
InChI:   InChI=1/C12H4Cl6O2/c13-4-1-6(15)12(7(16)2-4)20-8-3-5(14)11(19)10(18)9(8)17/h1-3,19H

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Potential Energy
Epot(MMFF94)=67.6705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.88 g/mol  logS: -7.21138  SlogP: 7.1049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142363  Sterimol/B1: 3.63092  Sterimol/B2: 4.82935  Sterimol/B3: 5.44109
  Sterimol/B4: 5.82397  Sterimol/L: 14.3154 
 
 Surface and Volume Properties
  Accessible surface: 518.25  Positive charged surface: 103.286  Negative charged surface: 414.965  Volume: 274.125
  Hydrophobic surface: 477.992  Hydrophilic surface: 40.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.