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PUBCHEM-ZINC06595332

 MMsINC code: MMs03813568
Type: Neutral
Formula: C12H24N2O4
SMILES:   O(CCCNC(=O)NC(C(C)C)C(OC)=O)CC
InChI:   InChI=1/C12H24N2O4/c1-5-18-8-6-7-13-12(16)14-10(9(2)3)11(15)17-4/h9-10H,5-8H2,1-4H3,(H2,13,14,16)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=20.7839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.334 g/mol  logS: -1.41487  SlogP: 0.9098  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0258981  Sterimol/B1: 2.61727  Sterimol/B2: 3.46842  Sterimol/B3: 3.86718
  Sterimol/B4: 5.22525  Sterimol/L: 19.0238 
 
 Surface and Volume Properties
  Accessible surface: 553.468  Positive charged surface: 442.905  Negative charged surface: 110.563  Volume: 266
  Hydrophobic surface: 401.809  Hydrophilic surface: 151.659
 
 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.