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IBS-ZINC06759524

 MMsINC code: MMs01969790
Type: Neutral
Formula: C17H15F3N2O5
SMILES:   FC(F)(F)Oc1ccc(cc1)/C(=N/OC(=O)COc1cc(OC)ccc1)/N
InChI:   InChI=1/C17H15F3N2O5/c1-24-13-3-2-4-14(9-13)25-10-15(23)27-22-16(21)11-5-7-12(8-6-11)26-17(18,19)20/h2-9H,10H2,1H3,(H2,21,22)

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Potential Energy
Epot(MMFF94)=130.453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.31 g/mol  logS: -5.24476  SlogP: 3.2562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00421154  Sterimol/B1: 2.63705  Sterimol/B2: 2.63916  Sterimol/B3: 2.66809
  Sterimol/B4: 6.22678  Sterimol/L: 21.6453 
 
 Surface and Volume Properties
  Accessible surface: 637.392  Positive charged surface: 344.824  Negative charged surface: 292.568  Volume: 315.75
  Hydrophobic surface: 395.876  Hydrophilic surface: 241.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.