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ACROSORGANICS-ZINC02390182

 MMsINC code: MMs00013612
Type: Neutral
Formula: C6H9F3O2
SMILES:   FC(F)(F)CCC(OCC)=O
InChI:   InChI=1/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.91068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.13 g/mol  logS: -1.4926  SlogP: 2.3119  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0534341  Sterimol/B1: 2.11758  Sterimol/B2: 2.63836  Sterimol/B3: 2.63878
  Sterimol/B4: 3.71955  Sterimol/L: 12.352 
 
 Surface and Volume Properties
  Accessible surface: 347.297  Positive charged surface: 182.682  Negative charged surface: 164.615  Volume: 137.25
  Hydrophobic surface: 178.218  Hydrophilic surface: 169.079
 
 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.