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ALFAAESAR-ZINC02390288

 MMsINC code: MMs00023165
Type: Neutral
Formula: C4H4F6O
SMILES:   FC(C(F)(F)OC)C(F)(F)F
InChI:   InChI=1/C4H4F6O/c1-11-4(9,10)2(5)3(6,7)8/h2H,1H3/t2-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.1393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.063 g/mol  logS: -1.89916  SlogP: 3.3857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133265  Sterimol/B1: 2.70371  Sterimol/B2: 2.87623  Sterimol/B3: 2.88608
  Sterimol/B4: 3.18613  Sterimol/L: 9.84879 
 
 Surface and Volume Properties
  Accessible surface: 289.865  Positive charged surface: 113.893  Negative charged surface: 175.973  Volume: 110.25
  Hydrophobic surface: 105.959  Hydrophilic surface: 183.906
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.