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PUBCHEM-ZINC06564151

 MMsINC code: MMs03798290
Type: Neutral
Formula: C13H26N2O4
SMILES:   O(C(C)C)CCCNC(=O)NC(C(C)C)C(OC)=O
InChI:   InChI=1/C13H26N2O4/c1-9(2)11(12(16)18-5)15-13(17)14-7-6-8-19-10(3)4/h9-11H,6-8H2,1-5H3,(H2,14,15,17)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=16.3205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.361 g/mol  logS: -1.74208  SlogP: 1.2983  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0356154  Sterimol/B1: 1.99479  Sterimol/B2: 2.94247  Sterimol/B3: 4.78714
  Sterimol/B4: 5.69817  Sterimol/L: 18.9681 
 
 Surface and Volume Properties
  Accessible surface: 583.749  Positive charged surface: 447.38  Negative charged surface: 136.37  Volume: 283.375
  Hydrophobic surface: 408.95  Hydrophilic surface: 174.799
 
 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.