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ENAMINE-ZINC03165331

 MMsINC code: MMs01292374
Type: Neutral
Formula: C6H8F3NO2
SMILES:   FC(F)(F)C(=O)N1CCOCC1
InChI:   InChI=1/C6H8F3NO2/c7-6(8,9)5(11)10-1-3-12-4-2-10/h1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.9415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.129 g/mol  logS: -1.03159  SlogP: 0.8274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178845  Sterimol/B1: 2.62151  Sterimol/B2: 2.67748  Sterimol/B3: 3.34574
  Sterimol/B4: 5.33298  Sterimol/L: 9.74554 
 
 Surface and Volume Properties
  Accessible surface: 318.544  Positive charged surface: 186.661  Negative charged surface: 131.883  Volume: 138.125
  Hydrophobic surface: 169.801  Hydrophilic surface: 148.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.