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ALFAAESAR-ZINC02170209

 MMsINC code: MMs00022864
Type: Neutral
Formula: C5H10BrF2O3P
SMILES:   BrC(P(OCC)(OCC)=O)(F)F
InChI:   InChI=1/C5H10BrF2O3P/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)=47.8906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.006 g/mol  logS: -2.17459  SlogP: 2.5474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169905  Sterimol/B1: 2.49907  Sterimol/B2: 3.93669  Sterimol/B3: 4.10745
  Sterimol/B4: 6.38321  Sterimol/L: 10.4861 
 
 Surface and Volume Properties
  Accessible surface: 407.908  Positive charged surface: 181.549  Negative charged surface: 226.359  Volume: 179.5
  Hydrophobic surface: 179.844  Hydrophilic surface: 228.064
 
 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.