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PUBCHEM-ZINC06360520

 MMsINC code: MMs03686218
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-/m1/s1

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Potential Energy
Epot(MMFF94)=34.1192 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: 0.183861  Sterimol/B1: 2.53479  Sterimol/B2: 3.15847  Sterimol/B3: 3.37712
  Sterimol/B4: 4.279  Sterimol/L: 9.85716 
 
 Surface and Volume Properties
  Accessible surface: 307.783  Positive charged surface: 132.242  Negative charged surface: 175.541  Volume: 124.625
  Hydrophobic surface: 57.6139  Hydrophilic surface: 250.1691
 
 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:


MMs03686217
PUBCHEM-ZINC06360520