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FDA-ZINC00004840

 MMsINC code: MMs01724980
Type: Neutral
Formula: C12H9F3N2O2
SMILES:   FC(F)(F)c1ccc(NC(=O)c2cnoc2C)cc1
InChI:   InChI=1/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=69.8184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.21 g/mol  logS: -3.37116  SlogP: 3.56562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.02943  Sterimol/B1: 2.08593  Sterimol/B2: 2.15191  Sterimol/B3: 3.10773
  Sterimol/B4: 5.94566  Sterimol/L: 13.8826 
 
 Surface and Volume Properties
  Accessible surface: 450.128  Positive charged surface: 190.587  Negative charged surface: 259.54  Volume: 217.125
  Hydrophobic surface: 284.819  Hydrophilic surface: 165.309
 
 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.