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NCID-ZINC01668642

 MMsINC code: MMs02304732
Type: Neutral
Formula: C6H11NO4
SMILES:   O(C(=O)CNC(OC)=O)CC
InChI:   InChI=1/C6H11NO4/c1-3-11-5(8)4-7-6(9)10-2/h3-4H2,1-2H3,(H,7,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.24105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.157 g/mol  logS: -0.57531  SlogP: -0.0945  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0225305  Sterimol/B1: 2.37502  Sterimol/B2: 2.37541  Sterimol/B3: 2.68143
  Sterimol/B4: 3.61974  Sterimol/L: 14.2959 
 
 Surface and Volume Properties
  Accessible surface: 378.901  Positive charged surface: 290.226  Negative charged surface: 88.675  Volume: 150.5
  Hydrophobic surface: 235.067  Hydrophilic surface: 143.834
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.