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PUBCHEM-ZINC06706596

 MMsINC code: MMs03843557
Type: Neutral
Formula: C4H9NO5
SMILES:   OC(C(O)CO)C(=O)NO
InChI:   InChI=1/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.5251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.118 g/mol  logS: 0.93513  SlogP: -2.7941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136307  Sterimol/B1: 2.68605  Sterimol/B2: 2.93989  Sterimol/B3: 3.58548
  Sterimol/B4: 3.93851  Sterimol/L: 10.5938 
 
 Surface and Volume Properties
  Accessible surface: 314.961  Positive charged surface: 199.599  Negative charged surface: 115.362  Volume: 122.625
  Hydrophobic surface: 67.3561  Hydrophilic surface: 247.6049
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.