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NCID-ZINC04783297

 MMsINC code: MMs02405767
Type: Neutral
Formula: C5H11NO5
SMILES:   OC(C(O)CO)C(O)\C=N\O
InChI:   InChI=1/C5H11NO5/c7-2-4(9)5(10)3(8)1-6-11/h1,3-5,7-11H,2H2/b6-1+/t3-,4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=62.2625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.145 g/mol  logS: 1.37185  SlogP: -2.4786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112252  Sterimol/B1: 2.39141  Sterimol/B2: 2.73298  Sterimol/B3: 3.81718
  Sterimol/B4: 3.84812  Sterimol/L: 12.2853 
 
 Surface and Volume Properties
  Accessible surface: 345.955  Positive charged surface: 236.972  Negative charged surface: 108.983  Volume: 142.25
  Hydrophobic surface: 94.7433  Hydrophilic surface: 251.2117
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.