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APOLLO-ZINC02564807

 MMsINC code: MMs00053966
Type: Neutral
Formula: C5H10Br2FO3P
SMILES:   BrC(Br)(P(OCC)(OCC)=O)F
InChI:   InChI=1/C5H10Br2FO3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.9977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.912 g/mol  logS: -2.94443  SlogP: 2.9728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168797  Sterimol/B1: 2.94153  Sterimol/B2: 4.00928  Sterimol/B3: 4.05806
  Sterimol/B4: 6.98684  Sterimol/L: 10.4661 
 
 Surface and Volume Properties
  Accessible surface: 430.378  Positive charged surface: 177.635  Negative charged surface: 252.743  Volume: 204
  Hydrophobic surface: 177.054  Hydrophilic surface: 253.324
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.