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ASINEX-ZINC05027272

 MMsINC code: MMs00438694
Type: Neutral
Formula: C10H12N6
SMILES:   [nH]1nc(N)c(N=Nc2ccccc2C)c1N
InChI:   InChI=1/C10H12N6/c1-6-4-2-3-5-7(6)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+

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Potential Energy
Epot(MMFF94)=56.8669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.248 g/mol  logS: -1.93847  SlogP: 2.29792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00617768  Sterimol/B1: 2.10928  Sterimol/B2: 2.51273  Sterimol/B3: 2.57848
  Sterimol/B4: 6.79445  Sterimol/L: 13.059 
 
 Surface and Volume Properties
  Accessible surface: 425.642  Positive charged surface: 260.315  Negative charged surface: 165.327  Volume: 206.5
  Hydrophobic surface: 253.533  Hydrophilic surface: 172.109
 
 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.