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CHEMSTAR-ZINC01764602

 MMsINC code: MMs01079137
Type: Neutral
Formula: C6H11NO4
SMILES:   O(C(=O)CNCC(OC)=O)C
InChI:   InChI=1/C6H11NO4/c1-10-5(8)3-7-4-6(9)11-2/h7H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.4093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.157 g/mol  logS: -0.17382  SlogP: -1.078  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.026632  Sterimol/B1: 2.40138  Sterimol/B2: 2.45609  Sterimol/B3: 2.57732
  Sterimol/B4: 3.40711  Sterimol/L: 14.3961 
 
 Surface and Volume Properties
  Accessible surface: 374.592  Positive charged surface: 304.151  Negative charged surface: 70.4414  Volume: 149.375
  Hydrophobic surface: 263.489  Hydrophilic surface: 111.103
 
 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.