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NCID-ZINC02036220

 MMsINC code: MMs02378870
Type: Neutral
Formula: C14H23NO5
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(C1)CC(C)C
InChI:   InChI=1/C14H23NO5/c1-5-19-12(17)14(13(18)20-6-2)10(7-9(3)4)8-11(16)15-14/h9-10H,5-8H2,1-4H3,(H,15,16)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=72.5188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.34 g/mol  logS: -3.21383  SlogP: 1.0336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157449  Sterimol/B1: 2.46235  Sterimol/B2: 4.1546  Sterimol/B3: 4.40518
  Sterimol/B4: 8.94256  Sterimol/L: 14.3262 
 
 Surface and Volume Properties
  Accessible surface: 549.243  Positive charged surface: 378.461  Negative charged surface: 170.782  Volume: 277.625
  Hydrophobic surface: 351.597  Hydrophilic surface: 197.646
 
 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.