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PUBCHEM-ZINC06762462

 MMsINC code: MMs03855868
Type: Neutral
Formula: C8H15F2NO3
SMILES:   FC(F)(C(O)C(N)CC(C)C)C(O)=O
InChI:   InChI=1/C8H15F2NO3/c1-4(2)3-5(11)6(12)8(9,10)7(13)14/h4-6,12H,3,11H2,1-2H3,(H,13,14)/t5-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=63.4254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.208 g/mol  logS: -1.33796  SlogP: 0.8605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12125  Sterimol/B1: 2.12514  Sterimol/B2: 3.05074  Sterimol/B3: 3.90111
  Sterimol/B4: 4.83324  Sterimol/L: 13.0688 
 
 Surface and Volume Properties
  Accessible surface: 393.513  Positive charged surface: 232.572  Negative charged surface: 160.942  Volume: 182.875
  Hydrophobic surface: 144.2  Hydrophilic surface: 249.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03855869
PUBCHEM-ZINC06762462