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PUBCHEM-ZINC06022856

 MMsINC code: MMs03498158
Type: Neutral
Formula: C13H24N2O4
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NCCOC
InChI:   InChI=1/C13H24N2O4/c1-13(2,3)19-12(17)15-8-5-6-10(15)11(16)14-7-9-18-4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=49.5779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.345 g/mol  logS: -1.58316  SlogP: 1.1485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662966  Sterimol/B1: 2.35183  Sterimol/B2: 2.55459  Sterimol/B3: 4.33332
  Sterimol/B4: 7.9022  Sterimol/L: 16.1285 
 
 Surface and Volume Properties
  Accessible surface: 553.394  Positive charged surface: 445.419  Negative charged surface: 107.975  Volume: 275.125
  Hydrophobic surface: 450.674  Hydrophilic surface: 102.72
 
 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.