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PUBCHEM-ZINC01433348

 MMsINC code: MMs02805221
Type: Neutral
Formula: C13H23NO4
SMILES:   O(C(=O)C1N(CCCC1)C(OC(C)(C)C)=O)CC
InChI:   InChI=1/C13H23NO4/c1-5-17-11(15)10-8-6-7-9-14(10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=61.0096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.33 g/mol  logS: -2.2051  SlogP: 2.3391  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141486  Sterimol/B1: 2.43839  Sterimol/B2: 2.95268  Sterimol/B3: 4.17459
  Sterimol/B4: 9.36958  Sterimol/L: 12.642 
 
 Surface and Volume Properties
  Accessible surface: 507.719  Positive charged surface: 387.436  Negative charged surface: 120.282  Volume: 260.625
  Hydrophobic surface: 403.583  Hydrophilic surface: 104.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.