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BACHEM-ZINC01703665

 MMsINC code: MMs00482539
Type: Neutral
Formula: C6H11NO4
SMILES:   O(C(=O)C(N)CC(OC)=O)C
InChI:   InChI=1/C6H11NO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3,7H2,1-2H3/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=32.3972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.157 g/mol  logS: 0.01984  SlogP: -0.9502  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0587294  Sterimol/B1: 2.69003  Sterimol/B2: 2.89104  Sterimol/B3: 2.98118
  Sterimol/B4: 4.6127  Sterimol/L: 12.4069 
 
 Surface and Volume Properties
  Accessible surface: 364.66  Positive charged surface: 292.782  Negative charged surface: 71.8776  Volume: 149.875
  Hydrophobic surface: 236.675  Hydrophilic surface: 127.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.