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PUBCHEM-ZINC05957666

 MMsINC code: MMs03460408
Type: Neutral
Formula: C11H24N2O6
SMILES:   OC(C(O)C(O)CO)C(O)C(=O)NCCCN(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)/t7-,8-,9+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=86.1015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.321 g/mol  logS: 1.14993  SlogP: -3.5098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.035329  Sterimol/B1: 3.14944  Sterimol/B2: 3.26422  Sterimol/B3: 3.88541
  Sterimol/B4: 4.97957  Sterimol/L: 17.3851 
 
 Surface and Volume Properties
  Accessible surface: 535.455  Positive charged surface: 427.479  Negative charged surface: 107.976  Volume: 266.125
  Hydrophobic surface: 314.96  Hydrophilic surface: 220.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs03460409
PUBCHEM-ZINC05957666