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OAKWOOD-ZINC02565678

 MMsINC code: MMs02546280
Type: Neutral
Formula: C7H13F3O
SMILES:   FC(F)(F)C(O)CCCCC
InChI:   InChI=1/C7H13F3O/c1-2-3-4-5-6(11)7(8,9)10/h6,11H,2-5H2,1H3/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=28.7819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.174 g/mol  logS: -2.54563  SlogP: 2.9098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843041  Sterimol/B1: 2.66181  Sterimol/B2: 2.94429  Sterimol/B3: 3.08771
  Sterimol/B4: 3.65711  Sterimol/L: 12.5018 
 
 Surface and Volume Properties
  Accessible surface: 357.998  Positive charged surface: 204.632  Negative charged surface: 153.365  Volume: 152.875
  Hydrophobic surface: 193.871  Hydrophilic surface: 164.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs02546281
OAKWOOD-ZINC02565678