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PUBCHEM-ZINC06360487

 MMsINC code: MMs03686185
Type: Ionized
Formula: C5H6F2NO3-
SMILES:   FC(F)CC(N)C(=O)C(=O)[O-]
InChI:   InChI=1/C5H7F2NO3/c6-3(7)1-2(8)4(9)5(10)11/h2-3H,1,8H2,(H,10,11)/p-1/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=36.526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.103 g/mol  logS: -0.59942  SlogP: -1.2922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158317  Sterimol/B1: 2.43615  Sterimol/B2: 3.11606  Sterimol/B3: 3.43158
  Sterimol/B4: 4.21665  Sterimol/L: 9.84833 
 
 Surface and Volume Properties
  Accessible surface: 305.171  Positive charged surface: 130.608  Negative charged surface: 174.562  Volume: 125.125
  Hydrophobic surface: 61.82  Hydrophilic surface: 243.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs03686184
PUBCHEM-ZINC06360487