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MDPI-ZINC01553976

 MMsINC code: MMs02175753
Type: Neutral
Formula: C12H6Br4O2
SMILES:   Brc1cc(Br)cc(-c2cc(Br)cc(Br)c2O)c1O
InChI:   InChI=1/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H

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Potential Energy
Epot(MMFF94)=58.0594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 501.794 g/mol  logS: -7.44892  SlogP: 5.8148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140457  Sterimol/B1: 3.14056  Sterimol/B2: 3.63532  Sterimol/B3: 4.48838
  Sterimol/B4: 5.63422  Sterimol/L: 12.1579 
 
 Surface and Volume Properties
  Accessible surface: 533.195  Positive charged surface: 112.549  Negative charged surface: 419.795  Volume: 291.875
  Hydrophobic surface: 475.826  Hydrophilic surface: 57.369
 
 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.