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NCID-ZINC01670800

 MMsINC code: MMs02306826
Type: Neutral
Formula: C8H6Br4
SMILES:   BrC(Br)c1ccccc1C(Br)Br
InChI:   InChI=1/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.752 g/mol  logS: -5.46758  SlogP: 5.4544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169636  Sterimol/B1: 3.94572  Sterimol/B2: 3.95541  Sterimol/B3: 4.2893
  Sterimol/B4: 5.80224  Sterimol/L: 8.61934 
 
 Surface and Volume Properties
  Accessible surface: 433.395  Positive charged surface: 73.1539  Negative charged surface: 360.241  Volume: 232
  Hydrophobic surface: 127.963  Hydrophilic surface: 305.432
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.