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PUBCHEM-ZINC05131983

 MMsINC code: MMs03206923
Type: Neutral
Formula: C8H14FNO6
SMILES:   FCC(=O)NC(C(O)C(O)C(O)CO)C=O
InChI:   InChI=1/C8H14FNO6/c9-1-6(14)10-4(2-11)7(15)8(16)5(13)3-12/h2,4-5,7-8,12-13,15-16H,1,3H2,(H,10,14)/t4-,5+,7+,8-/m0/s1

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Potential Energy
Epot(MMFF94)=82.0529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.199 g/mol  logS: 0.69081  SlogP: -3.2854  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.128048  Sterimol/B1: 3.10808  Sterimol/B2: 3.26162  Sterimol/B3: 3.56433
  Sterimol/B4: 5.88197  Sterimol/L: 12.4709 
 
 Surface and Volume Properties
  Accessible surface: 423.912  Positive charged surface: 269.297  Negative charged surface: 154.615  Volume: 198.375
  Hydrophobic surface: 133.841  Hydrophilic surface: 290.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.