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PUBCHEM-ZINC05976323

 MMsINC code: MMs03471797
Type: Neutral
Formula: C11H19NO9
SMILES:   O1C(C(O)C(O)COC(=O)C)C(N)C(O)CC1(O)C(O)=O
InChI:   InChI=1/C11H19NO9/c1-4(13)20-3-6(15)8(16)9-7(12)5(14)2-11(19,21-9)10(17)18/h5-9,14-16,19H,2-3,12H2,1H3,(H,17,18)/t5-,6-,7-,8-,9+,11-/m1/s1

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Potential Energy
Epot(MMFF94)=84.5931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.271 g/mol  logS: 0.56768  SlogP: -3.4784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890872  Sterimol/B1: 3.40609  Sterimol/B2: 3.73789  Sterimol/B3: 4.61891
  Sterimol/B4: 4.92107  Sterimol/L: 15.3477 
 
 Surface and Volume Properties
  Accessible surface: 512.9  Positive charged surface: 343.762  Negative charged surface: 169.138  Volume: 255.625
  Hydrophobic surface: 198.124  Hydrophilic surface: 314.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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: no related molecules available.