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ASINEX-ZINC00615682

 MMsINC code: MMs00141196
Type: Neutral
Formula: C15H26N6
SMILES:   n1c(nc(nc1N1CCCC1)NC(C)(C)C)N1CCCC1
InChI:   InChI=1/C15H26N6/c1-15(2,3)19-12-16-13(20-8-4-5-9-20)18-14(17-12)21-10-6-7-11-21/h4-11H2,1-3H3,(H,16,17,18,19)

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Potential Energy
Epot(MMFF94)=68.5358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.415 g/mol  logS: -3.99309  SlogP: 2.2824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0971024  Sterimol/B1: 2.17529  Sterimol/B2: 3.98841  Sterimol/B3: 4.91608
  Sterimol/B4: 8.23161  Sterimol/L: 13.1257 
 
 Surface and Volume Properties
  Accessible surface: 547.752  Positive charged surface: 445.29  Negative charged surface: 102.461  Volume: 299.375
  Hydrophobic surface: 422.644  Hydrophilic surface: 125.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.