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PUBCHEM-ZINC00967235

 MMsINC code: MMs02745984
Type: Neutral
Formula: C6H8N4O3
SMILES:   O=C1NC(=O)NC(N)=C1N(C=O)C
InChI:   InChI=1/C6H8N4O3/c1-10(2-11)3-4(7)8-6(13)9-5(3)12/h2H,1H3,(H4,7,8,9,12,13)

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Potential Energy
Epot(MMFF94)=10.9701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.155 g/mol  logS: -0.48758  SlogP: -1.9582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142098  Sterimol/B1: 2.39358  Sterimol/B2: 3.28535  Sterimol/B3: 4.2292
  Sterimol/B4: 5.14133  Sterimol/L: 10.6741 
 
 Surface and Volume Properties
  Accessible surface: 339.122  Positive charged surface: 230.464  Negative charged surface: 108.659  Volume: 149.25
  Hydrophobic surface: 85.141  Hydrophilic surface: 253.981
 
 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.