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PUBCHEM-ZINC04202298

 MMsINC code: MMs03098697
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-/m0/s1

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Potential Energy
Epot(MMFF94)=43.3744 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: 0.0935517  Sterimol/B1: 2.46898  Sterimol/B2: 2.66822  Sterimol/B3: 4.31653
  Sterimol/B4: 7.85288  Sterimol/L: 14.5442 
 
 Surface and Volume Properties
  Accessible surface: 547.312  Positive charged surface: 397.016  Negative charged surface: 150.296  Volume: 277.625
  Hydrophobic surface: 349.816  Hydrophilic surface: 197.496
 
 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.