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NCID-ZINC01719114

 MMsINC code: MMs02344312
Type: Neutral
Formula: C11H20O6
SMILES:   O(C(=O)C(O)C)CCCCCOC(=O)C(O)C
InChI:   InChI=1/C11H20O6/c1-8(12)10(14)16-6-4-3-5-7-17-11(15)9(2)13/h8-9,12-13H,3-7H2,1-2H3/t8-,9+

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Potential Energy
Epot(MMFF94)=47.6045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.275 g/mol  logS: -1.26153  SlogP: 0.0047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0216093  Sterimol/B1: 2.1026  Sterimol/B2: 2.56569  Sterimol/B3: 3.25931
  Sterimol/B4: 4.81427  Sterimol/L: 18.8565 
 
 Surface and Volume Properties
  Accessible surface: 536.068  Positive charged surface: 385.098  Negative charged surface: 150.97  Volume: 239.375
  Hydrophobic surface: 319.597  Hydrophilic surface: 216.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.