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PUBCHEM-ZINC01845834

 MMsINC code: MMs02823899
Type: Neutral
Formula: C4H4F4O
SMILES:   FC(F)(OC=C)C(F)F
InChI:   InChI=1/C4H4F4O/c1-2-9-4(7,8)3(5)6/h2-3H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.4279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.067 g/mol  logS: -1.16179  SlogP: 2.8442  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0814213  Sterimol/B1: 2.54364  Sterimol/B2: 2.56171  Sterimol/B3: 2.7258
  Sterimol/B4: 3.25016  Sterimol/L: 9.8128 
 
 Surface and Volume Properties
  Accessible surface: 284.813  Positive charged surface: 91.0651  Negative charged surface: 193.748  Volume: 101.125
  Hydrophobic surface: 95.5605  Hydrophilic surface: 189.2525
 
 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.