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PUBCHEM-ZINC05480414

 MMsINC code: MMs03281377
Type: Neutral
Formula: C8H14F3NO2
SMILES:   FC(F)(F)C(O)CN1CCC(O)CC1
InChI:   InChI=1/C8H14F3NO2/c9-8(10,11)7(14)5-12-3-1-6(13)2-4-12/h6-7,13-14H,1-5H2/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=44.4991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.199 g/mol  logS: -0.71872  SlogP: 0.7862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121332  Sterimol/B1: 2.64823  Sterimol/B2: 3.17911  Sterimol/B3: 3.45991
  Sterimol/B4: 4.89615  Sterimol/L: 11.9659 
 
 Surface and Volume Properties
  Accessible surface: 384.166  Positive charged surface: 235.006  Negative charged surface: 149.16  Volume: 178
  Hydrophobic surface: 191.371  Hydrophilic surface: 192.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03281378
PUBCHEM-ZINC05480414