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PUBCHEM-ZINC05957738

 MMsINC code: MMs03460462
Type: Neutral
Formula: C11H23NO6
SMILES:   O(C(C(O)C(O)CO)C(O)C=O)CCCN(C)C
InChI:   InChI=1/C11H23NO6/c1-12(2)4-3-5-18-11(9(16)7-14)10(17)8(15)6-13/h7-11,13,15-17H,3-6H2,1-2H3/t8-,9+,10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=77.825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.306 g/mol  logS: 0.94477  SlogP: -2.4028  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.092674  Sterimol/B1: 2.64927  Sterimol/B2: 4.15901  Sterimol/B3: 4.32568
  Sterimol/B4: 6.23823  Sterimol/L: 13.9895 
 
 Surface and Volume Properties
  Accessible surface: 514.932  Positive charged surface: 410.078  Negative charged surface: 104.854  Volume: 255.875
  Hydrophobic surface: 302.622  Hydrophilic surface: 212.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03460463
PUBCHEM-ZINC05957738