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PUBCHEM-ZINC05411557

 MMsINC code: MMs03260517
Type: Ionized
Formula: C5H7N2O4-
SMILES:   O1NC(=O)C(N)C1CC(=O)[O-]
InChI:   InChI=1/C5H8N2O4/c6-4-2(1-3(8)9)11-7-5(4)10/h2,4H,1,6H2,(H,7,10)(H,8,9)/p-1/t2-,4+/m0/s1

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Potential Energy
Epot(MMFF94)=28.8647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.121 g/mol  logS: 0.00392  SlogP: -3.1163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161699  Sterimol/B1: 2.56495  Sterimol/B2: 3.13008  Sterimol/B3: 3.3784
  Sterimol/B4: 4.29223  Sterimol/L: 10.2907 
 
 Surface and Volume Properties
  Accessible surface: 315.416  Positive charged surface: 168.509  Negative charged surface: 146.907  Volume: 126.625
  Hydrophobic surface: 59.5419  Hydrophilic surface: 255.8741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  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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MMs03260516
PUBCHEM-ZINC05411557