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PUBCHEM-ZINC06200714

 MMsINC code: MMs03608163
Type: Neutral
Formula: C12H24N2O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NCCCOC)C
InChI:   InChI=1/C12H24N2O4/c1-9(10(15)13-7-6-8-17-5)14-11(16)18-12(2,3)4/h9H,6-8H2,1-5H3,(H,13,15)(H,14,16)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=29.7044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.334 g/mol  logS: -1.66575  SlogP: 1.0523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0352192  Sterimol/B1: 1.98538  Sterimol/B2: 2.9953  Sterimol/B3: 3.77956
  Sterimol/B4: 5.72479  Sterimol/L: 19.0661 
 
 Surface and Volume Properties
  Accessible surface: 552.595  Positive charged surface: 425.364  Negative charged surface: 127.232  Volume: 265.5
  Hydrophobic surface: 390.633  Hydrophilic surface: 161.962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.