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PUBCHEM-ZINC02009511

 MMsINC code: MMs02848351
Type: Neutral
Formula: C10H14F6O2
SMILES:   FC(F)(F)C(O)(C(CCCCC)C=O)C(F)(F)F
InChI:   InChI=1/C10H14F6O2/c1-2-3-4-5-7(6-17)8(18,9(11,12)13)10(14,15)16/h6-7,18H,2-5H2,1H3/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=52.8751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.208 g/mol  logS: -3.7311  SlogP: 4.0773  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.111059  Sterimol/B1: 3.15667  Sterimol/B2: 3.50825  Sterimol/B3: 3.64297
  Sterimol/B4: 4.73621  Sterimol/L: 13.7387 
 
 Surface and Volume Properties
  Accessible surface: 428.731  Positive charged surface: 203.434  Negative charged surface: 225.297  Volume: 210
  Hydrophobic surface: 181.764  Hydrophilic surface: 246.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.