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PUBCHEM-ZINC05592102

 MMsINC code: MMs03316299
Type: Neutral
Formula: C7H13NO4
SMILES:   O(C(=O)C(=O)NCCOC)CC
InChI:   InChI=1/C7H13NO4/c1-3-12-7(10)6(9)8-4-5-11-2/h3-5H2,1-2H3,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.2587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.184 g/mol  logS: -0.64113  SlogP: -0.6879  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0296216  Sterimol/B1: 2.53221  Sterimol/B2: 3.03385  Sterimol/B3: 3.489
  Sterimol/B4: 3.70464  Sterimol/L: 14.5527 
 
 Surface and Volume Properties
  Accessible surface: 408.517  Positive charged surface: 317.628  Negative charged surface: 90.8887  Volume: 169.25
  Hydrophobic surface: 278.766  Hydrophilic surface: 129.751
 
 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.