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IBS-ZINC01461584

 MMsINC code: MMs01769476
Type: Neutral
Formula: C9H11F3N2O4
SMILES:   FC(F)(F)C(=O)N1CCNC(=O)C1CC(OC)=O
InChI:   InChI=1/C9H11F3N2O4/c1-18-6(15)4-5-7(16)13-2-3-14(5)8(17)9(10,11)12/h5H,2-4H2,1H3,(H,13,16)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=91.3627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.191 g/mol  logS: -1.35161  SlogP: -0.1413  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.151539  Sterimol/B1: 2.7974  Sterimol/B2: 4.03668  Sterimol/B3: 4.59509
  Sterimol/B4: 5.44373  Sterimol/L: 11.5904 
 
 Surface and Volume Properties
  Accessible surface: 414.96  Positive charged surface: 249.567  Negative charged surface: 165.393  Volume: 203.625
  Hydrophobic surface: 202.299  Hydrophilic surface: 212.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.