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PUBCHEM-ZINC03599195

 MMsINC code: MMs03018607
Type: Neutral
Formula: C6H11Br2O4P
SMILES:   BrC(Br)=COP(OCC)(OCC)=O
InChI:   InChI=1/C6H11Br2O4P/c1-3-10-13(9,11-4-2)12-5-6(7)8/h5H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.19578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.932 g/mol  logS: -2.97972  SlogP: 2.8115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126963  Sterimol/B1: 3.74876  Sterimol/B2: 3.90617  Sterimol/B3: 4.20204
  Sterimol/B4: 6.25999  Sterimol/L: 13.5654 
 
 Surface and Volume Properties
  Accessible surface: 480.325  Positive charged surface: 202.657  Negative charged surface: 277.668  Volume: 222.25
  Hydrophobic surface: 380.072  Hydrophilic surface: 100.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.