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NCID-ZINC02036221

 MMsINC code: MMs02378871
Type: Neutral
Formula: C14H23NO5
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(C1)CCCC
InChI:   InChI=1/C14H23NO5/c1-4-7-8-10-9-11(16)15-14(10,12(17)19-5-2)13(18)20-6-3/h10H,4-9H2,1-3H3,(H,15,16)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=49.9241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.34 g/mol  logS: -3.21383  SlogP: 1.1777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122106  Sterimol/B1: 2.85234  Sterimol/B2: 2.89236  Sterimol/B3: 5.67839
  Sterimol/B4: 8.24085  Sterimol/L: 15.8038 
 
 Surface and Volume Properties
  Accessible surface: 557.53  Positive charged surface: 390.016  Negative charged surface: 167.514  Volume: 279.75
  Hydrophobic surface: 373.423  Hydrophilic surface: 184.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.