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PUBCHEM-ZINC02066616

 MMsINC code: MMs02868594
Type: Neutral
Formula: C14H6Br4Cl2O2
SMILES:   Brc1cc(cc(Br)c1O)C(=C(Cl)Cl)c1cc(Br)c(O)c(Br)c1
InChI:   InChI=1/C14H6Br4Cl2O2/c15-7-1-5(2-8(16)12(7)21)11(14(19)20)6-3-9(17)13(22)10(18)4-6/h1-4,21-22H

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Potential Energy
Epot(MMFF94)=82.3201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 596.722 g/mol  logS: -8.93148  SlogP: 7.26849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193444  Sterimol/B1: 4.1821  Sterimol/B2: 4.90802  Sterimol/B3: 5.19087
  Sterimol/B4: 5.61234  Sterimol/L: 13.6505 
 
 Surface and Volume Properties
  Accessible surface: 615.144  Positive charged surface: 114.983  Negative charged surface: 500.161  Volume: 350.5
  Hydrophobic surface: 540.914  Hydrophilic surface: 74.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.