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PUBCHEM-ZINC05933223

 MMsINC code: MMs03451150
Type: Neutral
Formula: C10H10N6O2
SMILES:   OC(=O)c1ccc(Nc2nc(nc(n2)N)N)cc1
InChI:   InChI=1/C10H10N6O2/c11-8-14-9(12)16-10(15-8)13-6-3-1-5(2-4-6)7(17)18/h1-4H,(H,17,18)(H5,11,12,13,14,15,16)

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Potential Energy
Epot(MMFF94)=-44.4834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.23 g/mol  logS: -3.2869  SlogP: 0.4778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0230547  Sterimol/B1: 2.11319  Sterimol/B2: 3.24406  Sterimol/B3: 3.83
  Sterimol/B4: 5.00342  Sterimol/L: 15.1258 
 
 Surface and Volume Properties
  Accessible surface: 451.875  Positive charged surface: 298.35  Negative charged surface: 153.524  Volume: 211.125
  Hydrophobic surface: 129.808  Hydrophilic surface: 322.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03451151
PUBCHEM-ZINC05933223