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PUBCHEM-ZINC02382823

 MMsINC code: MMs02886191
Type: Neutral
Formula: C13H25NO5
SMILES:   O(C(C)(C)C)C(=O)CC(NC(OC(C)(C)C)=O)CO
InChI:   InChI=1/C13H25NO5/c1-12(2,3)18-10(16)7-9(8-15)14-11(17)19-13(4,5)6/h9,15H,7-8H2,1-6H3,(H,14,17)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=43.4119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.345 g/mol  logS: -1.89074  SlogP: 1.6038  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0935431  Sterimol/B1: 2.04111  Sterimol/B2: 3.19269  Sterimol/B3: 4.944
  Sterimol/B4: 7.12897  Sterimol/L: 14.5444 
 
 Surface and Volume Properties
  Accessible surface: 549.163  Positive charged surface: 399.38  Negative charged surface: 149.783  Volume: 277.625
  Hydrophobic surface: 351.414  Hydrophilic surface: 197.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.