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IFLAB-ZINC04941179

 MMsINC code: MMs02068418
Type: Neutral
Formula: C16H19F2NO3
SMILES:   Fc1cc(ccc1F)C(=O)NCC1OC2(OC1)CCCCC2
InChI:   InChI=1/C16H19F2NO3/c17-13-5-4-11(8-14(13)18)15(20)19-9-12-10-21-16(22-12)6-2-1-3-7-16/h4-5,8,12H,1-3,6-7,9-10H2,(H,19,20)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=51.9589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.328 g/mol  logS: -4.08219  SlogP: 2.7704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619414  Sterimol/B1: 3.25671  Sterimol/B2: 3.76167  Sterimol/B3: 3.79322
  Sterimol/B4: 5.4054  Sterimol/L: 16.4195 
 
 Surface and Volume Properties
  Accessible surface: 541.036  Positive charged surface: 349.209  Negative charged surface: 191.828  Volume: 279.75
  Hydrophobic surface: 494.303  Hydrophilic surface: 46.733
 
 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.