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NCID-ZINC01597927

 MMsINC code: MMs02251680
Type: Neutral
Formula: C7H6N4O3
SMILES:   O=C1NC(=O)NC2=C1NC(=NC2=O)C
InChI:   InChI=1/C7H6N4O3/c1-2-8-3-4(5(12)9-2)10-7(14)11-6(3)13/h1H3,(H,8,9,12)(H2,10,11,13,14)

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Potential Energy
Epot(MMFF94)=0.369321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.15 g/mol  logS: -1.58825  SlogP: -1.4144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131236  Sterimol/B1: 2.09935  Sterimol/B2: 2.51218  Sterimol/B3: 4.20945
  Sterimol/B4: 5.02575  Sterimol/L: 11.3595 
 
 Surface and Volume Properties
  Accessible surface: 342.829  Positive charged surface: 198.14  Negative charged surface: 144.689  Volume: 152.25
  Hydrophobic surface: 101.572  Hydrophilic surface: 241.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.