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PUBCHEM-ZINC05112912

 MMsINC code: MMs03201330
Type: Neutral
Formula: C6H11NO4
SMILES:   OC(=O)CCC(=O)C(N)CO
InChI:   InChI=1/C6H11NO4/c7-4(3-8)5(9)1-2-6(10)11/h4,8H,1-3,7H2,(H,10,11)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=20.4868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.157 g/mol  logS: 0.82961  SlogP: -1.2601  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0700258  Sterimol/B1: 2.66491  Sterimol/B2: 3.21048  Sterimol/B3: 3.2418
  Sterimol/B4: 3.63274  Sterimol/L: 11.8247 
 
 Surface and Volume Properties
  Accessible surface: 349.77  Positive charged surface: 240.547  Negative charged surface: 109.223  Volume: 146
  Hydrophobic surface: 118.202  Hydrophilic surface: 231.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.