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PUBCHEM-ZINC00629145

 MMsINC code: MMs02715959
Type: Neutral
Formula: C15H12Br4N2O2
SMILES:   Brc1c(OC)c(cc(Br)c1OC)C1=NCCn2c1c(Br)cc2Br
InChI:   InChI=1/C15H12Br4N2O2/c1-22-14-7(5-9(17)15(23-2)11(14)19)12-13-8(16)6-10(18)21(13)4-3-20-12/h5-6H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=89.5978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 571.889 g/mol  logS: -6.96503  SlogP: 5.6727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209257  Sterimol/B1: 2.11102  Sterimol/B2: 2.91799  Sterimol/B3: 6.44837
  Sterimol/B4: 7.19672  Sterimol/L: 15.459 
 
 Surface and Volume Properties
  Accessible surface: 590.168  Positive charged surface: 254.383  Negative charged surface: 335.786  Volume: 359.5
  Hydrophobic surface: 568.68  Hydrophilic surface: 21.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.