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IFLAB-ZINC04941174

 MMsINC code: MMs02068414
Type: Neutral
Formula: C16H20FNO3
SMILES:   Fc1ccccc1C(=O)NCC1OC2(OC1)CCCCC2
InChI:   InChI=1/C16H20FNO3/c17-14-7-3-2-6-13(14)15(19)18-10-12-11-20-16(21-12)8-4-1-5-9-16/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,19)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=52.4802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.338 g/mol  logS: -3.78721  SlogP: 2.6313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.062164  Sterimol/B1: 2.50751  Sterimol/B2: 3.0637  Sterimol/B3: 3.99057
  Sterimol/B4: 6.43907  Sterimol/L: 16.4338 
 
 Surface and Volume Properties
  Accessible surface: 533.675  Positive charged surface: 362.495  Negative charged surface: 171.18  Volume: 277.25
  Hydrophobic surface: 488.412  Hydrophilic surface: 45.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.