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PEAKDALE-ZINC04229000

 MMsINC code: MMs02615791
Type: Neutral
Formula: C15H23NO4
SMILES:   O=C1N(C(C(C)C)C(OC)=O)C(=O)CC2(C1)CCCC2
InChI:   InChI=1/C15H23NO4/c1-10(2)13(14(19)20-3)16-11(17)8-15(9-12(16)18)6-4-5-7-15/h10,13H,4-9H2,1-3H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=59.6558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.352 g/mol  logS: -3.25664  SlogP: 1.8934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110228  Sterimol/B1: 3.7137  Sterimol/B2: 3.76604  Sterimol/B3: 4.08922
  Sterimol/B4: 6.16594  Sterimol/L: 13.3803 
 
 Surface and Volume Properties
  Accessible surface: 494.266  Positive charged surface: 356.704  Negative charged surface: 137.562  Volume: 277.375
  Hydrophobic surface: 392.749  Hydrophilic surface: 101.517
 
 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.