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APOLLO-ZINC01724516

 MMsINC code: MMs00049901
Type: Neutral
Formula: C6H8Br2O4
SMILES:   BrC(C(Br)C(OC)=O)C(OC)=O
InChI:   InChI=1/C6H8Br2O4/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4H,1-2H3/t3-,4+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.8492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.934 g/mol  logS: -2.59394  SlogP: 1.6992  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0592883  Sterimol/B1: 2.99982  Sterimol/B2: 3.2137  Sterimol/B3: 4.41464
  Sterimol/B4: 4.47345  Sterimol/L: 12.9137 
 
 Surface and Volume Properties
  Accessible surface: 409.78  Positive charged surface: 200.972  Negative charged surface: 208.808  Volume: 190.125
  Hydrophobic surface: 200.972  Hydrophilic surface: 208.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.