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PUBCHEM-ZINC06090869

 MMsINC code: MMs03536825
Type: Neutral
Formula: C6HBrCl4O
SMILES:   Brc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C6HBrCl4O/c7-1-2(8)3(9)4(10)5(11)6(1)12/h12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.789 g/mol  logS: -5.05048  SlogP: 4.7683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130508  Sterimol/B1: 2.17896  Sterimol/B2: 2.31881  Sterimol/B3: 4.75531
  Sterimol/B4: 4.98578  Sterimol/L: 9.66687 
 
 Surface and Volume Properties
  Accessible surface: 374.923  Positive charged surface: 63.1565  Negative charged surface: 311.767  Volume: 184
  Hydrophobic surface: 336.222  Hydrophilic surface: 38.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.