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CHEMBRIDGE-ZINC04844646

 MMsINC code: MMs00801019
Type: Neutral
Formula: C19H17F3N2O3
SMILES:   FC(F)(F)c1[nH]nc(c1-c1ccc(OC)cc1)-c1ccc(OC)c(C)c1O
InChI:   InChI=1/C19H17F3N2O3/c1-10-14(27-3)9-8-13(17(10)25)16-15(18(24-23-16)19(20,21)22)11-4-6-12(26-2)7-5-11/h4-9,25H,1-3H3,(H,23,24)

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Potential Energy
Epot(MMFF94)=99.6471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.35 g/mol  logS: -5.75123  SlogP: 5.10522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165688  Sterimol/B1: 2.4365  Sterimol/B2: 5.17797  Sterimol/B3: 5.18116
  Sterimol/B4: 7.76983  Sterimol/L: 12.6114 
 
 Surface and Volume Properties
  Accessible surface: 587.648  Positive charged surface: 378.945  Negative charged surface: 208.703  Volume: 327.625
  Hydrophobic surface: 393.912  Hydrophilic surface: 193.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.