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PUBCHEM-ZINC05131897

 MMsINC code: MMs03206814
Type: Ionized
Formula: C4H6FN2O3-
SMILES:   FC(CNC(=O)N)C(=O)[O-]
InChI:   InChI=1/C4H7FN2O3/c5-2(3(8)9)1-7-4(6)10/h2H,1H2,(H,8,9)(H3,6,7,10)/p-1/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=-15.4763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.101 g/mol  logS: -0.2903  SlogP: -1.8374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125732  Sterimol/B1: 2.23522  Sterimol/B2: 2.46287  Sterimol/B3: 3.47939
  Sterimol/B4: 3.69785  Sterimol/L: 10.4698 
 
 Surface and Volume Properties
  Accessible surface: 304.827  Positive charged surface: 162.375  Negative charged surface: 142.452  Volume: 115.25
  Hydrophobic surface: 52.0866  Hydrophilic surface: 252.7404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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:


MMs03206813
PUBCHEM-ZINC05131897