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PUBCHEM-ZINC06360501

 MMsINC code: MMs03686201
Type: Neutral
Formula: C6H11NO5
SMILES:   O1C(CO)C(O)C(O)C1\C=N\O
InChI:   InChI=1/C6H11NO5/c8-2-4-6(10)5(9)3(12-4)1-7-11/h1,3-6,8-11H,2H2/b7-1+/t3-,4+,5+,6-/m0/s1

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Potential Energy
Epot(MMFF94)=85.4786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.156 g/mol  logS: 0.87783  SlogP: -2.0721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188056  Sterimol/B1: 2.89952  Sterimol/B2: 3.08634  Sterimol/B3: 3.75354
  Sterimol/B4: 4.67358  Sterimol/L: 10.285 
 
 Surface and Volume Properties
  Accessible surface: 359.251  Positive charged surface: 268.119  Negative charged surface: 91.1319  Volume: 150.25
  Hydrophobic surface: 131.703  Hydrophilic surface: 227.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: no related molecules available.