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OAKWOOD-ZINC02581425

 MMsINC code: MMs02547091
Type: Neutral
Formula: C3H4F2O
SMILES:   FC(F)C(=O)C
InChI:   InChI=1/C3H4F2O/c1-2(6)3(4)5/h3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.5088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 94.06 g/mol  logS: -0.45736  SlogP: 1.2604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166743  Sterimol/B1: 2.51017  Sterimol/B2: 2.61527  Sterimol/B3: 2.74368
  Sterimol/B4: 3.68277  Sterimol/L: 7.38691 
 
 Surface and Volume Properties
  Accessible surface: 229.217  Positive charged surface: 102.684  Negative charged surface: 126.533  Volume: 73.375
  Hydrophobic surface: 103.364  Hydrophilic surface: 125.853
 
 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.