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PUBCHEM-ZINC05976558

 MMsINC code: MMs03472013
Type: Neutral
Formula: C11H19NO6
SMILES:   O(C(C)(C)C)C(=O)NC(CC(OC)=O)C(OC)=O
InChI:   InChI=1/C11H19NO6/c1-11(2,3)18-10(15)12-7(9(14)17-5)6-8(13)16-4/h7H,6H2,1-5H3,(H,12,15)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=33.308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.274 g/mol  logS: -1.51982  SlogP: 0.6158  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0859609  Sterimol/B1: 2.13849  Sterimol/B2: 4.66601  Sterimol/B3: 4.79079
  Sterimol/B4: 7.19287  Sterimol/L: 12.7258 
 
 Surface and Volume Properties
  Accessible surface: 515.399  Positive charged surface: 389.242  Negative charged surface: 126.157  Volume: 245.25
  Hydrophobic surface: 362.257  Hydrophilic surface: 153.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.