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NCID-ZINC01563901

 MMsINC code: MMs02225640
Type: Ionized
Formula: C4H5F2N2O3-
SMILES:   FC(F)(C(N)C(=O)[O-])C(=O)N
InChI:   InChI=1/C4H6F2N2O3/c5-4(6,3(8)11)1(7)2(9)10/h1H,7H2,(H2,8,11)(H,9,10)/p-1/t1-/m1/s1

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Potential Energy
Epot(MMFF94)=51.0611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.091 g/mol  logS: -0.52009  SlogP: -2.3959  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.170302  Sterimol/B1: 2.57124  Sterimol/B2: 3.45437  Sterimol/B3: 3.55418
  Sterimol/B4: 3.7622  Sterimol/L: 8.80581 
 
 Surface and Volume Properties
  Accessible surface: 290.783  Positive charged surface: 122.827  Negative charged surface: 167.956  Volume: 116.125
  Hydrophobic surface: 17.0657  Hydrophilic surface: 273.7173
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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:


MMs02225639
NCID-ZINC01563901