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MDPI-ZINC00638922

 MMsINC code: MMs02175691
Type: Neutral
Formula: C8H6Br4O2
SMILES:   Brc1c(OC)c(Br)c(Br)c(OC)c1Br
InChI:   InChI=1/C8H6Br4O2/c1-13-7-3(9)5(11)8(14-2)6(12)4(7)10/h1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.1228 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: 0.0389818  Sterimol/B1: 2.51375  Sterimol/B2: 2.84219  Sterimol/B3: 5.00542
  Sterimol/B4: 5.00625  Sterimol/L: 12.1805 
 
 Surface and Volume Properties
  Accessible surface: 444.837  Positive charged surface: 158.743  Negative charged surface: 286.094  Volume: 244.5
  Hydrophobic surface: 430.372  Hydrophilic surface: 14.465
 
 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.