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PUBCHEM-ZINC02583845

 MMsINC code: MMs02904468
Type: Neutral
Formula: C15H8F6O
SMILES:   FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1ccc(cc1)C=O
InChI:   InChI=1/C15H8F6O/c16-14(17,18)12-5-11(6-13(7-12)15(19,20)21)10-3-1-9(8-22)2-4-10/h1-8H

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Potential Energy
Epot(MMFF94)=90.8821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.216 g/mol  logS: -5.93047  SlogP: 5.8267  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0167818  Sterimol/B1: 2.63838  Sterimol/B2: 2.81506  Sterimol/B3: 3.49957
  Sterimol/B4: 6.20771  Sterimol/L: 13.7941 
 
 Surface and Volume Properties
  Accessible surface: 480.842  Positive charged surface: 133.588  Negative charged surface: 336.182  Volume: 241.875
  Hydrophobic surface: 211.834  Hydrophilic surface: 269.008
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.