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NCID-ZINC01558906

 MMsINC code: MMs02221804
Type: Neutral
Formula: C10H10N8O4
SMILES:   O=C1N=C(N)C(NC(=O)C(=O)NC2=CNC(=O)N=C2N)=CN1
InChI:   InChI=1/C10H10N8O4/c11-5-3(1-13-9(21)17-5)15-7(19)8(20)16-4-2-14-10(22)18-6(4)12/h1-2H,(H,15,19)(H,16,20)(H3,11,13,17,21)(H3,12,14,18,22)

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Potential Energy
Epot(MMFF94)=75.3568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.242 g/mol  logS: -2.11332  SlogP: -2.9376  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058537  Sterimol/B1: 2.23339  Sterimol/B2: 2.24772  Sterimol/B3: 3.97553
  Sterimol/B4: 5.05406  Sterimol/L: 17.1155 
 
 Surface and Volume Properties
  Accessible surface: 496.297  Positive charged surface: 289.712  Negative charged surface: 206.585  Volume: 236.875
  Hydrophobic surface: 89.281  Hydrophilic surface: 407.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.