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CHEMBRIDGE-ZINC00463862

 MMsINC code: MMs00623992
Type: Neutral
Formula: C13H23NO6
SMILES:   O1CCN(CCOCCOCC1)C(=O)CCC(OC)=O
InChI:   InChI=1/C13H23NO6/c1-17-13(16)3-2-12(15)14-4-6-18-8-10-20-11-9-19-7-5-14/h2-11H2,1H3

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Potential Energy
Epot(MMFF94)=94.4623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.328 g/mol  logS: -0.40589  SlogP: -0.1684  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.134164  Sterimol/B1: 2.7502  Sterimol/B2: 4.39758  Sterimol/B3: 5.3021
  Sterimol/B4: 5.50527  Sterimol/L: 15.4477 
 
 Surface and Volume Properties
  Accessible surface: 513.246  Positive charged surface: 437.401  Negative charged surface: 75.8447  Volume: 276.25
  Hydrophobic surface: 424.639  Hydrophilic surface: 88.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.