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PUBCHEM-ZINC02584392

 MMsINC code: MMs02904581
Type: Neutral
Formula: C7H8N4O3
SMILES:   O=C1N(C)C(=O)NC=2N(C)C(=O)NC1=2
InChI:   InChI=1/C7H8N4O3/c1-10-4-3(8-6(10)13)5(12)11(2)7(14)9-4/h1-2H3,(H,8,13)(H,9,14)

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Potential Energy
Epot(MMFF94)=1.86416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.166 g/mol  logS: -0.78401  SlogP: -1.0079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0226163  Sterimol/B1: 2.0959  Sterimol/B2: 2.51286  Sterimol/B3: 3.01877
  Sterimol/B4: 5.27126  Sterimol/L: 10.9286 
 
 Surface and Volume Properties
  Accessible surface: 354.251  Positive charged surface: 258.778  Negative charged surface: 95.4731  Volume: 159.125
  Hydrophobic surface: 160.167  Hydrophilic surface: 194.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.