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CHEMBRIDGE-ZINC04869890

 MMsINC code: MMs00807295
Type: Neutral
Formula: C19H16F3N3O2
SMILES:   FC(F)(F)c1ccccc1NC(=O)CCc1onc(n1)-c1ccccc1C
InChI:   InChI=1/C19H16F3N3O2/c1-12-6-2-3-7-13(12)18-24-17(27-25-18)11-10-16(26)23-15-9-5-4-8-14(15)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)

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Potential Energy
Epot(MMFF94)=107.877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.35 g/mol  logS: -6.62758  SlogP: 4.94659  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397529  Sterimol/B1: 2.41707  Sterimol/B2: 2.42461  Sterimol/B3: 4.80391
  Sterimol/B4: 5.96795  Sterimol/L: 19.3854 
 
 Surface and Volume Properties
  Accessible surface: 621.848  Positive charged surface: 309.644  Negative charged surface: 312.204  Volume: 323.75
  Hydrophobic surface: 463.126  Hydrophilic surface: 158.722
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.