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ALFAAESAR-ZINC01666904

 MMsINC code: MMs00021668
Type: Neutral
Formula: C4H7F3O
SMILES:   FC(F)(F)C(O)(C)C
InChI:   InChI=1/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.9928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.093 g/mol  logS: -1.12541  SlogP: 1.7395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.602297  Sterimol/B1: 2.3736  Sterimol/B2: 2.55092  Sterimol/B3: 3.82614
  Sterimol/B4: 4.87562  Sterimol/L: 6.73188 
 
 Surface and Volume Properties
  Accessible surface: 261.143  Positive charged surface: 117.439  Negative charged surface: 143.704  Volume: 100.125
  Hydrophobic surface: 89.748  Hydrophilic surface: 171.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.