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PUBCHEM-ZINC00363748

 MMsINC code: MMs02663265
Type: Neutral
Formula: C13H9F3N2O
SMILES:   FC(F)(F)c1ccc(cc1)C(=O)Nc1ncccc1
InChI:   InChI=1/C13H9F3N2O/c14-13(15,16)10-6-4-9(5-7-10)12(19)18-11-3-1-2-8-17-11/h1-8H,(H,17,18,19)

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Potential Energy
Epot(MMFF94)=63.3922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.222 g/mol  logS: -3.46454  SlogP: 3.6642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00686759  Sterimol/B1: 2.17186  Sterimol/B2: 2.73603  Sterimol/B3: 2.81549
  Sterimol/B4: 4.98231  Sterimol/L: 15.2453 
 
 Surface and Volume Properties
  Accessible surface: 455.411  Positive charged surface: 208.564  Negative charged surface: 246.846  Volume: 221.125
  Hydrophobic surface: 298.905  Hydrophilic surface: 156.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.