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NCID-ZINC01576952

 MMsINC code: MMs02235369
Type: Neutral
Formula: C10H16N6
SMILES:   n1c(N(C)C)c2c(nc1N(C)C)n(nc2)C
InChI:   InChI=1/C10H16N6/c1-14(2)8-7-6-11-16(5)9(7)13-10(12-8)15(3)4/h6H,1-5H3

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Potential Energy
Epot(MMFF94)=71.6893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.28 g/mol  logS: -1.99679  SlogP: 0.8545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614468  Sterimol/B1: 2.43164  Sterimol/B2: 2.75234  Sterimol/B3: 3.09261
  Sterimol/B4: 8.87752  Sterimol/L: 11.3829 
 
 Surface and Volume Properties
  Accessible surface: 440.798  Positive charged surface: 409.357  Negative charged surface: 27.2572  Volume: 220.75
  Hydrophobic surface: 395.348  Hydrophilic surface: 45.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.