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ACROSORGANICS-ZINC01482071

 MMsINC code: MMs00008778
Type: Neutral
Formula: C4H4F6O
SMILES:   FC(F)(F)COCC(F)(F)F
InChI:   InChI=1/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.0376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.063 g/mol  logS: -1.89916  SlogP: 2.9674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121825  Sterimol/B1: 2.11387  Sterimol/B2: 2.63844  Sterimol/B3: 2.6387
  Sterimol/B4: 3.23637  Sterimol/L: 10.162 
 
 Surface and Volume Properties
  Accessible surface: 307.147  Positive charged surface: 88.6801  Negative charged surface: 218.467  Volume: 109.125
  Hydrophobic surface: 79.4566  Hydrophilic surface: 227.6904
 
 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.