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PUBCHEM-ZINC02048701

 MMsINC code: MMs02865888
Type: Neutral
Formula: C12H23NO6
SMILES:   O(C(OCC)C(NC(OCC)=O)C(OCC)=O)CC
InChI:   InChI=1/C12H23NO6/c1-5-16-10(14)9(13-12(15)19-8-4)11(17-6-2)18-7-3/h9,11H,5-8H2,1-4H3,(H,13,15)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=29.1079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.317 g/mol  logS: -1.72295  SlogP: 1.0633  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165968  Sterimol/B1: 2.15982  Sterimol/B2: 5.02335  Sterimol/B3: 6.29918
  Sterimol/B4: 6.54454  Sterimol/L: 15.1389 
 
 Surface and Volume Properties
  Accessible surface: 571.063  Positive charged surface: 427.086  Negative charged surface: 143.977  Volume: 271.5
  Hydrophobic surface: 399.031  Hydrophilic surface: 172.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.