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PUBCHEM-ZINC00586897

 MMsINC code: MMs02710953
Type: Neutral
Formula: C7H6Br2O2
SMILES:   Brc1cc(OC)c(O)cc1Br
InChI:   InChI=1/C7H6Br2O2/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3,10H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.4607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.931 g/mol  logS: -3.25409  SlogP: 2.9258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0281279  Sterimol/B1: 2.33166  Sterimol/B2: 2.41358  Sterimol/B3: 4.57244
  Sterimol/B4: 5.27012  Sterimol/L: 11.3484 
 
 Surface and Volume Properties
  Accessible surface: 375.614  Positive charged surface: 164.346  Negative charged surface: 211.268  Volume: 175.375
  Hydrophobic surface: 317.714  Hydrophilic surface: 57.9
 
 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.