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ASINEX-ZINC00013352

 MMsINC code: MMs00059324
Type: Neutral
Formula: C5H6N2O3
SMILES:   OC=1C(=O)NC(=O)NC=1C
InChI:   InChI=1/C5H6N2O3/c1-2-3(8)4(9)7-5(10)6-2/h8H,1H3,(H2,6,7,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.86992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.114 g/mol  logS: -0.39329  SlogP: -0.3847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312019  Sterimol/B1: 2.09921  Sterimol/B2: 2.5121  Sterimol/B3: 3.6756
  Sterimol/B4: 4.59253  Sterimol/L: 8.4799 
 
 Surface and Volume Properties
  Accessible surface: 291.79  Positive charged surface: 173.665  Negative charged surface: 118.125  Volume: 114.75
  Hydrophobic surface: 97.3486  Hydrophilic surface: 194.4414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.