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PUBCHEM-ZINC05411532

 MMsINC code: MMs03260502
Type: Neutral
Formula: C11H21NO9
SMILES:   OC(C(N)C=O)C(O)C(O)CC(O)C(O)C(O)C(O)C=O
InChI:   InChI=1/C11H21NO9/c12-4(2-13)8(18)9(19)5(15)1-6(16)10(20)11(21)7(17)3-14/h2-11,15-21H,1,12H2/t4-,5-,6+,7-,8-,9+,10+,11-/m1/s1

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Potential Energy
Epot(MMFF94)=132.215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.287 g/mol  logS: 1.86901  SlogP: -5.3721  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0576771  Sterimol/B1: 2.95786  Sterimol/B2: 3.32849  Sterimol/B3: 3.46979
  Sterimol/B4: 3.81748  Sterimol/L: 17.5752 
 
 Surface and Volume Properties
  Accessible surface: 511.586  Positive charged surface: 349.595  Negative charged surface: 161.991  Volume: 266.125
  Hydrophobic surface: 147.001  Hydrophilic surface: 364.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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


MMs03260503
PUBCHEM-ZINC05411532