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PUBCHEM-ZINC04530754

 MMsINC code: MMs03129607
Type: Neutral
Formula: C13H19FO8
SMILES:   FCC1OC(OC)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C13H19FO8/c1-6(15)19-10-9(5-14)22-13(18-4)12(21-8(3)17)11(10)20-7(2)16/h9-13H,5H2,1-4H3/t9-,10-,11+,12+,13-/m0/s1

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Potential Energy
Epot(MMFF94)=60.0183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.285 g/mol  logS: -1.47567  SlogP: 0.1223  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.270696  Sterimol/B1: 4.0923  Sterimol/B2: 4.67398  Sterimol/B3: 4.9223
  Sterimol/B4: 7.19281  Sterimol/L: 12.913 
 
 Surface and Volume Properties
  Accessible surface: 555.969  Positive charged surface: 365.179  Negative charged surface: 190.789  Volume: 276.375
  Hydrophobic surface: 425.461  Hydrophilic surface: 130.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.