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CHEMSTAR-ZINC02526196

 MMsINC code: MMs01081581
Type: Neutral
Formula: C13H8Br2Cl2O2
SMILES:   Brc1cc(Cl)cc(Cc2cc(Cl)cc(Br)c2O)c1O
InChI:   InChI=1/C13H8Br2Cl2O2/c14-10-4-8(16)2-6(12(10)18)1-7-3-9(17)5-11(15)13(7)19/h2-5,18-19H,1H2

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Potential Energy
Epot(MMFF94)=55.5612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.919 g/mol  logS: -6.11327  SlogP: 5.52037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160848  Sterimol/B1: 3.43271  Sterimol/B2: 3.51919  Sterimol/B3: 3.98414
  Sterimol/B4: 6.22702  Sterimol/L: 11.71 
 
 Surface and Volume Properties
  Accessible surface: 522.259  Positive charged surface: 140.241  Negative charged surface: 382.018  Volume: 284.75
  Hydrophobic surface: 473.499  Hydrophilic surface: 48.76
 
 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: 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.