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PUBCHEM-ZINC05290030

 MMsINC code: MMs03233861
Type: Neutral
Formula: C10H16F3NO
SMILES:   FC(F)(F)C(=O)NC1CCCCCCC1
InChI:   InChI=1/C10H16F3NO/c11-10(12,13)9(15)14-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.238 g/mol  logS: -3.34768  SlogP: 3.1977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190545  Sterimol/B1: 2.31182  Sterimol/B2: 3.56679  Sterimol/B3: 4.43606
  Sterimol/B4: 4.52459  Sterimol/L: 11.2019 
 
 Surface and Volume Properties
  Accessible surface: 398.492  Positive charged surface: 215.883  Negative charged surface: 182.609  Volume: 195.75
  Hydrophobic surface: 244.712  Hydrophilic surface: 153.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.