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PUBCHEM-ZINC02565737

 MMsINC code: MMs02901887
Type: Neutral
Formula: C8H14F3NO2
SMILES:   FC(F)(F)C(=O)NCCCCCCO
InChI:   InChI=1/C8H14F3NO2/c9-8(10,11)7(14)12-5-3-1-2-4-6-13/h13H,1-6H2,(H,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.3149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.199 g/mol  logS: -1.45064  SlogP: 1.6375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324556  Sterimol/B1: 2.63756  Sterimol/B2: 2.63858  Sterimol/B3: 2.81393
  Sterimol/B4: 3.28068  Sterimol/L: 15.829 
 
 Surface and Volume Properties
  Accessible surface: 428.189  Positive charged surface: 256.034  Negative charged surface: 172.155  Volume: 183.125
  Hydrophobic surface: 209.347  Hydrophilic surface: 218.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.