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PUBCHEM-ZINC02573526

 MMsINC code: MMs02903359
Type: Neutral
Formula: C11H23NO4
SMILES:   O(CCCNC(=O)C(O)C(CO)(C)C)CC
InChI:   InChI=1/C11H23NO4/c1-4-16-7-5-6-12-10(15)9(14)11(2,3)8-13/h9,13-14H,4-8H2,1-3H3,(H,12,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=42.1482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.308 g/mol  logS: -0.63496  SlogP: -0.0914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0545566  Sterimol/B1: 2.37635  Sterimol/B2: 3.35343  Sterimol/B3: 3.70947
  Sterimol/B4: 4.72662  Sterimol/L: 16.9902 
 
 Surface and Volume Properties
  Accessible surface: 497.841  Positive charged surface: 383.791  Negative charged surface: 114.05  Volume: 241.875
  Hydrophobic surface: 327.662  Hydrophilic surface: 170.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.