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PUBCHEM-ZINC05592096

 MMsINC code: MMs03316291
Type: Neutral
Formula: C7H11NO5
SMILES:   O(C(=O)C(=O)NCC(OC)=O)CC
InChI:   InChI=1/C7H11NO5/c1-3-13-7(11)6(10)8-4-5(9)12-2/h3-4H2,1-2H3,(H,8,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.6046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.167 g/mol  logS: -0.90666  SlogP: -1.1613  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.016992  Sterimol/B1: 2.37469  Sterimol/B2: 2.3758  Sterimol/B3: 3.32932
  Sterimol/B4: 3.44013  Sterimol/L: 15.6336 
 
 Surface and Volume Properties
  Accessible surface: 408.771  Positive charged surface: 293.014  Negative charged surface: 115.757  Volume: 168.5
  Hydrophobic surface: 234.388  Hydrophilic surface: 174.383
 
 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.