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PUBCHEM-ZINC00392598

 MMsINC code: MMs02672223
Type: Neutral
Formula: C8H10N4O3
SMILES:   O=C1N(C)C(=O)NC=2N(C)C(=O)N(C1=2)C
InChI:   InChI=1/C8H10N4O3/c1-10-4-5(11(2)8(10)15)9-7(14)12(3)6(4)13/h1-3H3,(H,9,14)

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Potential Energy
Epot(MMFF94)=5.56908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.193 g/mol  logS: -0.67802  SlogP: -0.6657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328414  Sterimol/B1: 1.969  Sterimol/B2: 2.51218  Sterimol/B3: 2.51314
  Sterimol/B4: 7.04151  Sterimol/L: 10.8508 
 
 Surface and Volume Properties
  Accessible surface: 376.802  Positive charged surface: 298.019  Negative charged surface: 78.7822  Volume: 182.375
  Hydrophobic surface: 230.826  Hydrophilic surface: 145.976
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.