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CHEMSTAR-ZINC00407947

 MMsINC code: MMs01075070
Type: Neutral
Formula: C6H4Br2O2
SMILES:   Brc1cc(Br)cc(O)c1O
InChI:   InChI=1/C6H4Br2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H

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Potential Energy
Epot(MMFF94)=28.9236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.904 g/mol  logS: -2.84176  SlogP: 2.6228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311074  Sterimol/B1: 2.1765  Sterimol/B2: 2.52638  Sterimol/B3: 2.5438
  Sterimol/B4: 6.66968  Sterimol/L: 9.74096 
 
 Surface and Volume Properties
  Accessible surface: 350.732  Positive charged surface: 109.662  Negative charged surface: 241.071  Volume: 158.875
  Hydrophobic surface: 259.351  Hydrophilic surface: 91.381
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.