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IBS-ZINC05209244

 MMsINC code: MMs01931123
Type: Neutral
Formula: C17H13F3N2O4
SMILES:   FC(F)(F)c1ccccc1\C=C\C(=O)C=1C(=O)N(CC=C)C(=O)NC=1O
InChI:   InChI=1/C17H13F3N2O4/c1-2-9-22-15(25)13(14(24)21-16(22)26)12(23)8-7-10-5-3-4-6-11(10)17(18,19)20/h2-8,24H,1,9H2,(H,21,26)/b8-7+

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Potential Energy
Epot(MMFF94)=48.4061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.295 g/mol  logS: -4.43779  SlogP: 3.1066  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0254865  Sterimol/B1: 2.40334  Sterimol/B2: 2.42921  Sterimol/B3: 3.72186
  Sterimol/B4: 8.3814  Sterimol/L: 15.5095 
 
 Surface and Volume Properties
  Accessible surface: 565.386  Positive charged surface: 269.407  Negative charged surface: 295.979  Volume: 302.625
  Hydrophobic surface: 263.714  Hydrophilic surface: 301.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.