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PUBCHEM-ZINC06394772

 MMsINC code: MMs03705134
Type: Neutral
Formula: C15H23NO4
SMILES:   O=C1N(CC(OC(CC)C)=O)C(=O)CC2(C1)CCCC2
InChI:   InChI=1/C15H23NO4/c1-3-11(2)20-14(19)10-16-12(17)8-15(9-13(16)18)6-4-5-7-15/h11H,3-10H2,1-2H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=33.8946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.352 g/mol  logS: -3.38208  SlogP: 2.0375  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.122488  Sterimol/B1: 2.30198  Sterimol/B2: 3.41393  Sterimol/B3: 5.0096
  Sterimol/B4: 6.01279  Sterimol/L: 14.6269 
 
 Surface and Volume Properties
  Accessible surface: 520.09  Positive charged surface: 365.177  Negative charged surface: 154.913  Volume: 275.75
  Hydrophobic surface: 391.204  Hydrophilic surface: 128.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.