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PUBCHEM-ZINC06762378

 MMsINC code: MMs03855756
Type: Neutral
Formula: C8H15F2NO4
SMILES:   FC(F)(C(O)(O)C(N)CC(C)C)C(O)=O
InChI:   InChI=1/C8H15F2NO4/c1-4(2)3-5(11)8(14,15)7(9,10)6(12)13/h4-5,14-15H,3,11H2,1-2H3,(H,12,13)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=76.9012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.207 g/mol  logS: -1.19138  SlogP: 0.1805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142173  Sterimol/B1: 2.52229  Sterimol/B2: 3.17797  Sterimol/B3: 3.92889
  Sterimol/B4: 4.17657  Sterimol/L: 12.952 
 
 Surface and Volume Properties
  Accessible surface: 399.127  Positive charged surface: 235.045  Negative charged surface: 164.082  Volume: 191.5
  Hydrophobic surface: 127.398  Hydrophilic surface: 271.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03855757
PUBCHEM-ZINC06762378