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NCID-ZINC01571000

 MMsINC code: MMs02231215
Type: Neutral
Formula: C14H25NO5
SMILES:   O(C(=O)C(NC(=O)C)(CCCCC)C(OCC)=O)CC
InChI:   InChI=1/C14H25NO5/c1-5-8-9-10-14(15-11(4)16,12(17)19-6-2)13(18)20-7-3/h5-10H2,1-4H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=45.5366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.356 g/mol  logS: -3.31587  SlogP: 1.5678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190022  Sterimol/B1: 3.64398  Sterimol/B2: 4.11054  Sterimol/B3: 5.32127
  Sterimol/B4: 6.925  Sterimol/L: 15.4319 
 
 Surface and Volume Properties
  Accessible surface: 582.766  Positive charged surface: 415.338  Negative charged surface: 167.427  Volume: 289.875
  Hydrophobic surface: 439.783  Hydrophilic surface: 142.983
 
 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.