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CHEMBRIDGE-ZINC02863560

 MMsINC code: MMs00728839
Type: Neutral
Formula: C13H18F3N3O4
SMILES:   FC(F)(F)C1(NC(=O)N(C1=O)C1CCCCC1)NC(OCC)=O
InChI:   InChI=1/C13H18F3N3O4/c1-2-23-11(22)18-12(13(14,15)16)9(20)19(10(21)17-12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,17,21)(H,18,22)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=22.248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.298 g/mol  logS: -3.22118  SlogP: 2.2955  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0822359  Sterimol/B1: 2.40685  Sterimol/B2: 3.48561  Sterimol/B3: 3.63074
  Sterimol/B4: 6.84302  Sterimol/L: 15.6453 
 
 Surface and Volume Properties
  Accessible surface: 529.696  Positive charged surface: 335.461  Negative charged surface: 194.235  Volume: 273.375
  Hydrophobic surface: 303.268  Hydrophilic surface: 226.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.