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ASINEX-ZINC03394130

 MMsINC code: MMs00288676
Type: Ionized
Formula: C5H5N2O4-
SMILES:   O=C1N(CC(=O)[O-])C(=O)NC1
InChI:   InChI=1/C5H6N2O4/c8-3-1-6-5(11)7(3)2-4(9)10/h1-2H2,(H,6,11)(H,9,10)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.78896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.105 g/mol  logS: -0.29078  SlogP: -2.7119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148457  Sterimol/B1: 2.78965  Sterimol/B2: 3.38819  Sterimol/B3: 3.49492
  Sterimol/B4: 4.68725  Sterimol/L: 9.75995 
 
 Surface and Volume Properties
  Accessible surface: 302.965  Positive charged surface: 166.447  Negative charged surface: 136.518  Volume: 122.875
  Hydrophobic surface: 82.1316  Hydrophilic surface: 220.8334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00288675
ASINEX-ZINC03394130