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PUBCHEM-ZINC06529094

 MMsINC code: MMs03784782
Type: Neutral
Formula: C9H10N6
SMILES:   [nH]1nc(N)c(N=Nc2ccccc2)c1N
InChI:   InChI=1/C9H10N6/c10-8-7(9(11)15-14-8)13-12-6-4-2-1-3-5-6/h1-5H,(H5,10,11,14,15)/b13-12-

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Potential Energy
Epot(MMFF94)=86.9854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.221 g/mol  logS: -1.778  SlogP: 1.9895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.246164  Sterimol/B1: 2.53651  Sterimol/B2: 2.86034  Sterimol/B3: 4.58653
  Sterimol/B4: 5.75348  Sterimol/L: 10.8303 
 
 Surface and Volume Properties
  Accessible surface: 381.355  Positive charged surface: 226.837  Negative charged surface: 154.518  Volume: 185.5
  Hydrophobic surface: 208.464  Hydrophilic surface: 172.891
 
 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.