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CHEMBRIDGE-ZINC00977853

 MMsINC code: MMs00649324
Type: Neutral
Formula: C15H8Br2O3
SMILES:   Brc1c2c(occ2C(=O)c2ccccc2)cc(Br)c1O
InChI:   InChI=1/C15H8Br2O3/c16-10-6-11-12(13(17)15(10)19)9(7-20-11)14(18)8-4-2-1-3-5-8/h1-7,19H

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Potential Energy
Epot(MMFF94)=73.1021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.034 g/mol  logS: -6.72185  SlogP: 4.8944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137578  Sterimol/B1: 3.09724  Sterimol/B2: 3.5484  Sterimol/B3: 4.84952
  Sterimol/B4: 6.10025  Sterimol/L: 14.2581 
 
 Surface and Volume Properties
  Accessible surface: 493.386  Positive charged surface: 181.008  Negative charged surface: 308.927  Volume: 275.875
  Hydrophobic surface: 413.769  Hydrophilic surface: 79.617
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.