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PUBCHEM-ZINC06564301

 MMsINC code: MMs03798482
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-/m1/s1

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Potential Energy
Epot(MMFF94)=16.8473 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: 0.045136  Sterimol/B1: 2.00017  Sterimol/B2: 3.26564  Sterimol/B3: 4.70679
  Sterimol/B4: 6.02484  Sterimol/L: 18.8733 
 
 Surface and Volume Properties
  Accessible surface: 580.18  Positive charged surface: 447.025  Negative charged surface: 133.155  Volume: 284.375
  Hydrophobic surface: 411.891  Hydrophilic surface: 168.289
 
 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.