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NCID-ZINC05573102

 MMsINC code: MMs02476614
Type: Neutral
Formula: C14H24O8
SMILES:   O1C(COCCOC(=O)COCC(OCCOCC1C)=O)C
InChI:   InChI=1/C14H24O8/c1-11-7-17-3-5-20-13(15)9-19-10-14(16)21-6-4-18-8-12(2)22-11/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=100.563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.338 g/mol  logS: -1.7807  SlogP: -0.0702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0917425  Sterimol/B1: 2.88634  Sterimol/B2: 3.79252  Sterimol/B3: 5.31241
  Sterimol/B4: 6.88539  Sterimol/L: 13.1756 
 
 Surface and Volume Properties
  Accessible surface: 559.26  Positive charged surface: 445.897  Negative charged surface: 113.362  Volume: 298.625
  Hydrophobic surface: 419.945  Hydrophilic surface: 139.315
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.