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ASINEX-ZINC04692645

 MMsINC code: MMs00360290
Type: Neutral
Formula: C10H12N6
SMILES:   [nH]1nc(N)c(N=Nc2ccc(cc2)C)c1N
InChI:   InChI=1/C10H12N6/c1-6-2-4-7(5-3-6)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)=55.0032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.248 g/mol  logS: -2.25192  SlogP: 2.29792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00458929  Sterimol/B1: 2.104  Sterimol/B2: 2.51248  Sterimol/B3: 3.79365
  Sterimol/B4: 5.1367  Sterimol/L: 14.1313 
 
 Surface and Volume Properties
  Accessible surface: 437.619  Positive charged surface: 268.637  Negative charged surface: 168.982  Volume: 205.75
  Hydrophobic surface: 255.996  Hydrophilic surface: 181.623
 
 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.