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NCID-ZINC01604403

 MMsINC code: MMs02256894
Type: Neutral
Formula: C10H16N8
SMILES:   n1c(NC)c2nc(nc(NC)c2nc1NC)NC
InChI:   InChI=1/C10H16N8/c1-11-7-5-6(16-9(13-3)17-7)8(12-2)18-10(14-4)15-5/h1-4H3,(H2,11,13,16,17)(H2,12,14,15,18)

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Potential Energy
Epot(MMFF94)=1.40292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.294 g/mol  logS: -2.01792  SlogP: 0.5866  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0177454  Sterimol/B1: 2.37561  Sterimol/B2: 2.37693  Sterimol/B3: 2.57145
  Sterimol/B4: 8.13686  Sterimol/L: 13.2866 
 
 Surface and Volume Properties
  Accessible surface: 484.257  Positive charged surface: 458.555  Negative charged surface: 25.7028  Volume: 240.875
  Hydrophobic surface: 314.911  Hydrophilic surface: 169.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.