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PUBCHEM-ZINC03165515

 MMsINC code: MMs03004151
Type: Neutral
Formula: C7H12F3NO
SMILES:   FC(F)(F)C(=O)NCCCCC
InChI:   InChI=1/C7H12F3NO/c1-2-3-4-5-11-6(12)7(8,9)10/h2-5H2,1H3,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.8016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.173 g/mol  logS: -2.40552  SlogP: 2.275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443956  Sterimol/B1: 2.63754  Sterimol/B2: 2.63869  Sterimol/B3: 2.88886
  Sterimol/B4: 3.29347  Sterimol/L: 13.5998 
 
 Surface and Volume Properties
  Accessible surface: 380.287  Positive charged surface: 210.866  Negative charged surface: 169.421  Volume: 157.875
  Hydrophobic surface: 194.215  Hydrophilic surface: 186.072
 
 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.