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PUBCHEM-ZINC02036691

 MMsINC code: MMs02861398
Type: Neutral
Formula: C12H19NO6
SMILES:   O(C(=O)C(NC(=O)C)C(=O)CCC(OCC)=O)CC
InChI:   InChI=1/C12H19NO6/c1-4-18-10(16)7-6-9(15)11(13-8(3)14)12(17)19-5-2/h11H,4-7H2,1-3H3,(H,13,14)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=52.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.285 g/mol  logS: -1.33642  SlogP: -0.0334  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0548988  Sterimol/B1: 2.6149  Sterimol/B2: 3.95096  Sterimol/B3: 4.72739
  Sterimol/B4: 7.37638  Sterimol/L: 15.7342 
 
 Surface and Volume Properties
  Accessible surface: 543.086  Positive charged surface: 382.199  Negative charged surface: 160.886  Volume: 256.75
  Hydrophobic surface: 367.494  Hydrophilic surface: 175.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.