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PUBCHEM-ZINC05112823

 MMsINC code: MMs03201239
Type: Neutral
Formula: C2H3F3O
SMILES:   FC(F)(O)CF
InChI:   InChI=1/C2H3F3O/c3-1-2(4,5)6/h6H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.44992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 100.039 g/mol  logS: -0.47099  SlogP: 0.9609  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.273452  Sterimol/B1: 2.29898  Sterimol/B2: 2.63742  Sterimol/B3: 2.63872
  Sterimol/B4: 2.84113  Sterimol/L: 7.00516 
 
 Surface and Volume Properties
  Accessible surface: 218.234  Positive charged surface: 90.8833  Negative charged surface: 127.351  Volume: 64
  Hydrophobic surface: 57.0308  Hydrophilic surface: 161.2032
 
 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.