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PUBCHEM-ZINC05957666

 MMsINC code: MMs03460409
Type: Ionized
Formula: C11H25N2O6+
SMILES:   OC(C(O)C(O)CO)C(O)C(=O)NCCC[NH+](C)C
InChI:   InChI=1/C11H24N2O6/c1-13(2)5-3-4-12-11(19)10(18)9(17)8(16)7(15)6-14/h7-10,14-18H,3-6H2,1-2H3,(H,12,19)/p+1/t7-,8-,9+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=44.6225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.329 g/mol  logS: 1.17432  SlogP: -4.9269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.077133  Sterimol/B1: 2.81728  Sterimol/B2: 3.8273  Sterimol/B3: 3.9233
  Sterimol/B4: 5.3618  Sterimol/L: 16.9731 
 
 Surface and Volume Properties
  Accessible surface: 539.533  Positive charged surface: 448.246  Negative charged surface: 91.2867  Volume: 269.875
  Hydrophobic surface: 271.664  Hydrophilic surface: 267.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 1
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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MMs03460408
PUBCHEM-ZINC05957666