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ASINEX-ZINC04384386

 MMsINC code: MMs00329071
Type: Ionized
Formula: C5H5N2O4-
SMILES:   O=C1NC(=O)N(C1)CC(=O)[O-]
InChI:   InChI=1/C5H6N2O4/c8-3-1-7(2-4(9)10)5(11)6-3/h1-2H2,(H,9,10)(H,6,8,11)/p-1

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Potential Energy
Epot(MMFF94)=2.57164 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: 0.138957  Sterimol/B1: 2.13839  Sterimol/B2: 2.65261  Sterimol/B3: 3.75684
  Sterimol/B4: 5.26056  Sterimol/L: 10.1871 
 
 Surface and Volume Properties
  Accessible surface: 303.529  Positive charged surface: 160.832  Negative charged surface: 142.698  Volume: 122.25
  Hydrophobic surface: 68.7534  Hydrophilic surface: 234.7756
 
 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:


MMs00329070
ASINEX-ZINC04384386