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PUBCHEM-ZINC05962896

 MMsINC code: MMs03463192
Type: Ionized
Formula: C5H10NO4-
SMILES:   OC(N(O)C(C)C)C(=O)[O-]
InChI:   InChI=1/C5H11NO4/c1-3(2)6(10)4(7)5(8)9/h3-4,7,10H,1-2H3,(H,8,9)/p-1/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.5276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.138 g/mol  logS: 0.25023  SlogP: -1.8457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.236138  Sterimol/B1: 2.30066  Sterimol/B2: 2.37756  Sterimol/B3: 3.98007
  Sterimol/B4: 4.28301  Sterimol/L: 10.0437 
 
 Surface and Volume Properties
  Accessible surface: 310.316  Positive charged surface: 178.227  Negative charged surface: 132.089  Volume: 131.125
  Hydrophobic surface: 126.44  Hydrophilic surface: 183.876
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs03463191
PUBCHEM-ZINC05962896