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PUBCHEM-ZINC05131992

 MMsINC code: MMs03206935
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)=87.5561 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: 0.104644  Sterimol/B1: 3.0077  Sterimol/B2: 3.17261  Sterimol/B3: 3.17348
  Sterimol/B4: 5.96834  Sterimol/L: 12.4672 
 
 Surface and Volume Properties
  Accessible surface: 421.081  Positive charged surface: 271.522  Negative charged surface: 149.559  Volume: 198.375
  Hydrophobic surface: 138.744  Hydrophilic surface: 282.337
 
 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.