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ENAMINE-ZINC05861748

 MMsINC code: MMs01643167
Type: Tautomer
Formula: C14H24F3NO3
SMILES:   FC(F)(F)C1CCCN(C1)CC(O)COCC1OCCC1
InChI:   InChI=1/C14H24F3NO3/c15-14(16,17)11-3-1-5-18(7-11)8-12(19)9-20-10-13-4-2-6-21-13/h11-13,19H,1-10H2/t11-,12+,13+/m1/s1

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Potential Energy
Epot(MMFF94)=63.4499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.344 g/mol  logS: -1.83525  SlogP: 2.2371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0393754  Sterimol/B1: 2.88164  Sterimol/B2: 3.00904  Sterimol/B3: 3.59999
  Sterimol/B4: 6.03439  Sterimol/L: 16.8347 
 
 Surface and Volume Properties
  Accessible surface: 561.964  Positive charged surface: 405.667  Negative charged surface: 156.297  Volume: 282.625
  Hydrophobic surface: 406.941  Hydrophilic surface: 155.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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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Parent related molecule:


MMs01643166
ENAMINE-ZINC05861748