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PUBCHEM-ZINC05480618

 MMsINC code: MMs03281466
Type: Neutral
Formula: C12H12Br2O2
SMILES:   Brc1cc(OCC=C)c(Br)cc1OCC=C
InChI:   InChI=1/C12H12Br2O2/c1-3-5-15-11-7-10(14)12(8-9(11)13)16-6-4-2/h3-4,7-8H,1-2,5-6H2

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Potential Energy
Epot(MMFF94)=58.6509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.034 g/mol  logS: -4.65888  SlogP: 4.3412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0230742  Sterimol/B1: 2.15039  Sterimol/B2: 3.17763  Sterimol/B3: 5.2897
  Sterimol/B4: 5.42579  Sterimol/L: 16.7711 
 
 Surface and Volume Properties
  Accessible surface: 519.497  Positive charged surface: 211.526  Negative charged surface: 307.971  Volume: 257.75
  Hydrophobic surface: 397.946  Hydrophilic surface: 121.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.