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PUBCHEM-ZINC06072486

 MMsINC code: MMs03525324
Type: Neutral
Formula: C2H2F4O
SMILES:   FC(O)C(F)(F)F
InChI:   InChI=1/C2H2F4O/c3-1(7)2(4,5)6/h1,7H/t1-/m0/s1

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Potential Energy
Epot(MMFF94)=29.6347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.029 g/mol  logS: -0.67541  SlogP: 1.6764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.293131  Sterimol/B1: 2.52818  Sterimol/B2: 2.6052  Sterimol/B3: 3.02881
  Sterimol/B4: 3.07538  Sterimol/L: 6.95402 
 
 Surface and Volume Properties
  Accessible surface: 223.924  Positive charged surface: 62.9282  Negative charged surface: 160.996  Volume: 67.875
  Hydrophobic surface: 20.3539  Hydrophilic surface: 203.5701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.