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PUBCHEM-ZINC05847996

 MMsINC code: MMs03414933
Type: Neutral
Formula: C6H9NO4
SMILES:   O1CCN(CCO)C(=O)C1=O
InChI:   InChI=1/C6H9NO4/c8-3-1-7-2-4-11-6(10)5(7)9/h8H,1-4H2

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Potential Energy
Epot(MMFF94)=60.6654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.141 g/mol  logS: -0.01159  SlogP: -1.6359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16805  Sterimol/B1: 2.38526  Sterimol/B2: 2.51982  Sterimol/B3: 3.34633
  Sterimol/B4: 5.56008  Sterimol/L: 9.20464 
 
 Surface and Volume Properties
  Accessible surface: 321.886  Positive charged surface: 236.899  Negative charged surface: 84.9862  Volume: 138.375
  Hydrophobic surface: 178.258  Hydrophilic surface: 143.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.