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PUBCHEM-ZINC05112737

 MMsINC code: MMs03201154
Type: Ionized
Formula: C6H6F3N2O4-
SMILES:   FC(F)(F)C(=O)NCC(=O)NCC(=O)[O-]
InChI:   InChI=1/C6H7F3N2O4/c7-6(8,9)5(15)11-1-3(12)10-2-4(13)14/h1-2H2,(H,10,12)(H,11,15)(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=54.3916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.118 g/mol  logS: -1.27496  SlogP: -2.0491  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0262836  Sterimol/B1: 2.58716  Sterimol/B2: 2.58774  Sterimol/B3: 2.94755
  Sterimol/B4: 3.98082  Sterimol/L: 13.7916 
 
 Surface and Volume Properties
  Accessible surface: 390.053  Positive charged surface: 154.765  Negative charged surface: 235.287  Volume: 159.375
  Hydrophobic surface: 80.0358  Hydrophilic surface: 310.0172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs03201153
PUBCHEM-ZINC05112737