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PUBCHEM-ZINC05112797

 MMsINC code: MMs03201217
Type: Neutral
Formula: C2H4Br2O
SMILES:   BrC(Br)CO
InChI:   InChI=1/C2H4Br2O/c3-2(4)1-5/h2,5H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.9948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.861 g/mol  logS: -1.45579  SlogP: 1.5145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.395622  Sterimol/B1: 2.14633  Sterimol/B2: 3.48031  Sterimol/B3: 3.77015
  Sterimol/B4: 3.77304  Sterimol/L: 7.1277 
 
 Surface and Volume Properties
  Accessible surface: 273.307  Positive charged surface: 96.3959  Negative charged surface: 176.911  Volume: 110.75
  Hydrophobic surface: 63.5447  Hydrophilic surface: 209.7623
 
 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.