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NCID-ZINC04804191

 MMsINC code: MMs02408482
Type: Neutral
Formula: C15H25NO6
SMILES:   O(C(=O)C1C(C)C(N(C(OCC)=O)C1C)C(OCC)=O)CC
InChI:   InChI=1/C15H25NO6/c1-6-20-13(17)11-9(4)12(14(18)21-7-2)16(10(11)5)15(19)22-8-3/h9-12H,6-8H2,1-5H3/t9-,10+,11+,12+/m0/s1

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Potential Energy
Epot(MMFF94)=80.5707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.366 g/mol  logS: -2.16798  SlogP: 1.5941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0617534  Sterimol/B1: 2.83863  Sterimol/B2: 3.74577  Sterimol/B3: 4.9854
  Sterimol/B4: 5.96778  Sterimol/L: 15.6561 
 
 Surface and Volume Properties
  Accessible surface: 568.137  Positive charged surface: 417.059  Negative charged surface: 151.079  Volume: 301.875
  Hydrophobic surface: 399.805  Hydrophilic surface: 168.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.