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PUBCHEM-ZINC05858447

 MMsINC code: MMs03421088
Type: Neutral
Formula: C5H5F7O
SMILES:   FC(OCC)(C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C5H5F7O/c1-2-13-3(6,4(7,8)9)5(10,11)12/h2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.0617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.08 g/mol  logS: -2.60602  SlogP: 4.073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162217  Sterimol/B1: 2.87383  Sterimol/B2: 3.44438  Sterimol/B3: 3.49992
  Sterimol/B4: 4.07417  Sterimol/L: 9.82011 
 
 Surface and Volume Properties
  Accessible surface: 318.369  Positive charged surface: 98.5493  Negative charged surface: 219.819  Volume: 129.625
  Hydrophobic surface: 90.9428  Hydrophilic surface: 227.4262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.