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PUBCHEM-ZINC02169494

 MMsINC code: MMs02879689
Type: Neutral
Formula: C7H10F3NO4
SMILES:   FC(F)(F)C(=O)NC(C(O)C)C(OC)=O
InChI:   InChI=1/C7H10F3NO4/c1-3(12)4(5(13)15-2)11-6(14)7(8,9)10/h3-4,12H,1-2H3,(H,11,14)/t3-,4-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.7775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.154 g/mol  logS: -1.37894  SlogP: 0.0072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0898541  Sterimol/B1: 2.41622  Sterimol/B2: 2.81394  Sterimol/B3: 3.27113
  Sterimol/B4: 6.39961  Sterimol/L: 12.172 
 
 Surface and Volume Properties
  Accessible surface: 390.814  Positive charged surface: 211.788  Negative charged surface: 179.026  Volume: 173.5
  Hydrophobic surface: 158.392  Hydrophilic surface: 232.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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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Ions/Tautomers related molecules: no related molecules available.