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PUBCHEM-ZINC00638439

 MMsINC code: MMs02717471
Type: Neutral
Formula: C8H6Br4O2
SMILES:   Brc1c(OC)c(OC)c(Br)c(Br)c1Br
InChI:   InChI=1/C8H6Br4O2/c1-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 453.75 g/mol  logS: -5.8472  SlogP: 4.7538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134333  Sterimol/B1: 2.78947  Sterimol/B2: 3.16851  Sterimol/B3: 3.93554
  Sterimol/B4: 7.26624  Sterimol/L: 10.3649 
 
 Surface and Volume Properties
  Accessible surface: 449.914  Positive charged surface: 169.704  Negative charged surface: 280.21  Volume: 246.5
  Hydrophobic surface: 439.848  Hydrophilic surface: 10.066
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.