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CHEMBRIDGE-ZINC01230860

 MMsINC code: MMs00692375
Type: Neutral
Formula: C17H11F4N3O3
SMILES:   FC(F)(COC(=O)c1ccccc1C(=O)n1nnc2c1cccc2)C(F)F
InChI:   InChI=1/C17H11F4N3O3/c18-16(19)17(20,21)9-27-15(26)11-6-2-1-5-10(11)14(25)24-13-8-4-3-7-12(13)22-23-24/h1-8,16H,9H2

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Potential Energy
Epot(MMFF94)=99.8909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.285 g/mol  logS: -4.81906  SlogP: 4.0168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887786  Sterimol/B1: 2.55476  Sterimol/B2: 3.6692  Sterimol/B3: 3.86046
  Sterimol/B4: 9.65901  Sterimol/L: 15.4027 
 
 Surface and Volume Properties
  Accessible surface: 572.847  Positive charged surface: 227.223  Negative charged surface: 345.624  Volume: 301.875
  Hydrophobic surface: 346.572  Hydrophilic surface: 226.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.