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NCID-ZINC01571288

 MMsINC code: MMs02231433
Type: Neutral
Formula: C12H19FO7
SMILES:   FC(C(O)(CC(OCC)=O)C(OCC)=O)C(OCC)=O
InChI:   InChI=1/C12H19FO7/c1-4-18-8(14)7-12(17,11(16)20-6-3)9(13)10(15)19-5-2/h9,17H,4-7H2,1-3H3/t9-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=44.9837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.275 g/mol  logS: -1.79975  SlogP: 0.5549  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0654321  Sterimol/B1: 2.81793  Sterimol/B2: 3.89694  Sterimol/B3: 3.93708
  Sterimol/B4: 6.55988  Sterimol/L: 16.6535 
 
 Surface and Volume Properties
  Accessible surface: 547.315  Positive charged surface: 376.073  Negative charged surface: 171.242  Volume: 262.125
  Hydrophobic surface: 347.736  Hydrophilic surface: 199.579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.