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BACHEM-ZINC02391026

 MMsINC code: MMs00483042
Type: Neutral
Formula: C6H11NO4
SMILES:   O(C(=O)C(NC(=O)C)CO)C
InChI:   InChI=1/C6H11NO4/c1-4(9)7-5(3-8)6(10)11-2/h5,8H,3H2,1-2H3,(H,7,9)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=25.2854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.157 g/mol  logS: 0.0239  SlogP: -1.3436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104956  Sterimol/B1: 2.5756  Sterimol/B2: 2.76444  Sterimol/B3: 3.50067
  Sterimol/B4: 4.92878  Sterimol/L: 11.952 
 
 Surface and Volume Properties
  Accessible surface: 363.112  Positive charged surface: 269.052  Negative charged surface: 94.0603  Volume: 148
  Hydrophobic surface: 232.923  Hydrophilic surface: 130.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.