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NCID-ZINC01599667

 MMsINC code: MMs02252931
Type: Neutral
Formula: C6H11NO4
SMILES:   OC(=O)C(NC(=O)C)(CO)C
InChI:   InChI=1/C6H11NO4/c1-4(9)7-6(2,3-8)5(10)11/h8H,3H2,1-2H3,(H,7,9)(H,10,11)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=33.2549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.157 g/mol  logS: 0.10902  SlogP: -1.0419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.356221  Sterimol/B1: 3.06034  Sterimol/B2: 3.5846  Sterimol/B3: 3.9437
  Sterimol/B4: 4.2188  Sterimol/L: 9.86811 
 
 Surface and Volume Properties
  Accessible surface: 338.261  Positive charged surface: 223.807  Negative charged surface: 114.454  Volume: 143.625
  Hydrophobic surface: 158.536  Hydrophilic surface: 179.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02252932
NCID-ZINC01599667