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NCID-ZINC01563999

 MMsINC code: MMs02225715
Type: Neutral
Formula: C6H11NO4
SMILES:   O(C(=O)C)CNCOC(=O)C
InChI:   InChI=1/C6H11NO4/c1-5(8)10-3-7-4-11-6(2)9/h7H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.45863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.157 g/mol  logS: 0.40046  SlogP: -0.3828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0634274  Sterimol/B1: 2.94329  Sterimol/B2: 3.04029  Sterimol/B3: 3.4077
  Sterimol/B4: 3.50885  Sterimol/L: 13.0382 
 
 Surface and Volume Properties
  Accessible surface: 372.352  Positive charged surface: 248.296  Negative charged surface: 124.056  Volume: 151.5
  Hydrophobic surface: 241.575  Hydrophilic surface: 130.777
 
 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.