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ENAMINE-ZINC03207306

 MMsINC code: MMs01306461
Type: Neutral
Formula: C17H14F6N2O3
SMILES:   FC(F)(F)COc1cc(NC(=O)Nc2ccccc2)cc(OCC(F)(F)F)c1
InChI:   InChI=1/C17H14F6N2O3/c18-16(19,20)9-27-13-6-12(7-14(8-13)28-10-17(21,22)23)25-15(26)24-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,24,25,26)

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Potential Energy
Epot(MMFF94)=107.837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.298 g/mol  logS: -5.51879  SlogP: 6.0526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0400954  Sterimol/B1: 3.01535  Sterimol/B2: 3.7955  Sterimol/B3: 5.57434
  Sterimol/B4: 5.6643  Sterimol/L: 17.9066 
 
 Surface and Volume Properties
  Accessible surface: 632.166  Positive charged surface: 268.71  Negative charged surface: 363.456  Volume: 316.5
  Hydrophobic surface: 336.162  Hydrophilic surface: 296.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.