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BACHEM-ZINC02560342

 MMsINC code: MMs00483795
Type: Neutral
Formula: C11H20N2O5
SMILES:   O(C(C)(C)C)C(=O)NCCC(NC(=O)C)C(O)=O
InChI:   InChI=1/C11H20N2O5/c1-7(14)13-8(9(15)16)5-6-12-10(17)18-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,17)(H,13,14)(H,15,16)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=21.9371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.29 g/mol  logS: -1.1991  SlogP: 0.4905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.057873  Sterimol/B1: 2.18026  Sterimol/B2: 3.15806  Sterimol/B3: 3.54891
  Sterimol/B4: 7.66049  Sterimol/L: 14.6295 
 
 Surface and Volume Properties
  Accessible surface: 516.748  Positive charged surface: 346.188  Negative charged surface: 170.56  Volume: 247.375
  Hydrophobic surface: 286.919  Hydrophilic surface: 229.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00483796
BACHEM-ZINC02560342