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PUBCHEM-ZINC06762463

 MMsINC code: MMs03855870
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)=64.8227 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: 0.132989  Sterimol/B1: 2.15032  Sterimol/B2: 2.74347  Sterimol/B3: 4.3977
  Sterimol/B4: 4.56777  Sterimol/L: 13.1222 
 
 Surface and Volume Properties
  Accessible surface: 389.481  Positive charged surface: 233.557  Negative charged surface: 155.925  Volume: 183.25
  Hydrophobic surface: 140.382  Hydrophilic surface: 249.099
 
 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: no related molecules available.