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IFLAB-ZINC04941181

 MMsINC code: MMs02068420
Type: Neutral
Formula: C16H20FNO3
SMILES:   Fc1ccc(cc1)C(=O)NCC1OC2(OC1)CCCCC2
InChI:   InChI=1/C16H20FNO3/c17-13-6-4-12(5-7-13)15(19)18-10-14-11-20-16(21-14)8-2-1-3-9-16/h4-7,14H,1-3,8-11H2,(H,18,19)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=52.1076 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: 0.0617875  Sterimol/B1: 3.2558  Sterimol/B2: 3.77679  Sterimol/B3: 3.79838
  Sterimol/B4: 5.12792  Sterimol/L: 16.4218 
 
 Surface and Volume Properties
  Accessible surface: 535.025  Positive charged surface: 358.629  Negative charged surface: 176.396  Volume: 278.125
  Hydrophobic surface: 488.291  Hydrophilic surface: 46.734
 
 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.