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NCID-ZINC04692084

 MMsINC code: MMs02393708
Type: Neutral
Formula: C15H27NO5
SMILES:   O(C(=O)C(NC(=O)C)(CCCCCC)C(OCC)=O)CC
InChI:   InChI=1/C15H27NO5/c1-5-8-9-10-11-15(16-12(4)17,13(18)20-6-2)14(19)21-7-3/h5-11H2,1-4H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=45.4939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.383 g/mol  logS: -3.83109  SlogP: 1.9579  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145848  Sterimol/B1: 4.24255  Sterimol/B2: 4.54723  Sterimol/B3: 4.70308
  Sterimol/B4: 6.54856  Sterimol/L: 16.8093 
 
 Surface and Volume Properties
  Accessible surface: 612.581  Positive charged surface: 440.671  Negative charged surface: 171.91  Volume: 309.75
  Hydrophobic surface: 470.01  Hydrophilic surface: 142.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.