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PUBCHEM-ZINC05962814

 MMsINC code: MMs03463094
Type: Neutral
Formula: C15H26N2O4
SMILES:   O=C1CCN(C1)C(=O)C(NC(OC(C)(C)C)=O)CC(C)C
InChI:   InChI=1/C15H26N2O4/c1-10(2)8-12(16-14(20)21-15(3,4)5)13(19)17-7-6-11(18)9-17/h10,12H,6-9H2,1-5H3,(H,16,20)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=71.8761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.383 g/mol  logS: -2.80967  SlogP: 1.7272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107223  Sterimol/B1: 2.31151  Sterimol/B2: 3.27862  Sterimol/B3: 4.39126
  Sterimol/B4: 7.74629  Sterimol/L: 15.2257 
 
 Surface and Volume Properties
  Accessible surface: 546.352  Positive charged surface: 373.375  Negative charged surface: 172.977  Volume: 298.375
  Hydrophobic surface: 347.361  Hydrophilic surface: 198.991
 
 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.