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NCID-ZINC01614511

 MMsINC code: MMs02264348
Type: Neutral
Formula: C10H14N6
SMILES:   n1c(N)c2nc(C)c(nc2nc1N(C)C)C
InChI:   InChI=1/C10H14N6/c1-5-6(2)13-9-7(12-5)8(11)14-10(15-9)16(3)4/h1-4H3,(H2,11,13,14,15)

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Potential Energy
Epot(MMFF94)=51.5948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.264 g/mol  logS: -2.01207  SlogP: 0.68484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019745  Sterimol/B1: 2.51217  Sterimol/B2: 2.51352  Sterimol/B3: 4.24312
  Sterimol/B4: 5.22043  Sterimol/L: 13.0814 
 
 Surface and Volume Properties
  Accessible surface: 441.717  Positive charged surface: 362.509  Negative charged surface: 79.2079  Volume: 213.625
  Hydrophobic surface: 309.088  Hydrophilic surface: 132.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.