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NCID-ZINC02036219

 MMsINC code: MMs02378869
Type: Neutral
Formula: C15H25NO5
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(C1)CCCCC
InChI:   InChI=1/C15H25NO5/c1-4-7-8-9-11-10-12(17)16-15(11,13(18)20-5-2)14(19)21-6-3/h11H,4-10H2,1-3H3,(H,16,17)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=49.9487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.367 g/mol  logS: -3.72905  SlogP: 1.5678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0978313  Sterimol/B1: 2.98471  Sterimol/B2: 3.80755  Sterimol/B3: 5.61693
  Sterimol/B4: 7.31588  Sterimol/L: 17.0196 
 
 Surface and Volume Properties
  Accessible surface: 588.129  Positive charged surface: 415.011  Negative charged surface: 173.117  Volume: 298.625
  Hydrophobic surface: 402.104  Hydrophilic surface: 186.025
 
 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.