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NCID-ZINC00638920

 MMsINC code: MMs02217601
Type: Neutral
Formula: C6H2Br4
SMILES:   Brc1cc(Br)c(Br)cc1Br
InChI:   InChI=1/C6H2Br4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.698 g/mol  logS: -5.74644  SlogP: 4.7366  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.61392e-07  Sterimol/B1: 2.16614  Sterimol/B2: 2.16728  Sterimol/B3: 2.56441
  Sterimol/B4: 5.3327  Sterimol/L: 10.0034 
 
 Surface and Volume Properties
  Accessible surface: 388.492  Positive charged surface: 43.7687  Negative charged surface: 344.724  Volume: 195.375
  Hydrophobic surface: 388.492  Hydrophilic surface: 0
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.