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ENAMINE-ZINC04564334

 MMsINC code: MMs01548026
Type: Neutral
Formula: C15H13F3N2O3
SMILES:   Fc1c(F)c(F)ccc1NC(=O)C(OC(=O)c1n(ccc1)C)C
InChI:   InChI=1/C15H13F3N2O3/c1-8(23-15(22)11-4-3-7-20(11)2)14(21)19-10-6-5-9(16)12(17)13(10)18/h3-8H,1-2H3,(H,19,21)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=65.7262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.274 g/mol  logS: -3.46534  SlogP: 2.9856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0442981  Sterimol/B1: 2.1247  Sterimol/B2: 2.53882  Sterimol/B3: 3.97801
  Sterimol/B4: 6.83863  Sterimol/L: 16.7957 
 
 Surface and Volume Properties
  Accessible surface: 531.071  Positive charged surface: 279.921  Negative charged surface: 251.15  Volume: 273.625
  Hydrophobic surface: 421.46  Hydrophilic surface: 109.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.