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ASINEX-ZINC00615686

 MMsINC code: MMs00141198
Type: Neutral
Formula: C14H26N6
SMILES:   n1c(nc(nc1NC(C)(C)C)NCC)N1CCCCC1
InChI:   InChI=1/C14H26N6/c1-5-15-11-16-12(19-14(2,3)4)18-13(17-11)20-9-7-6-8-10-20/h5-10H2,1-4H3,(H2,15,16,17,18,19)

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Potential Energy
Epot(MMFF94)=-12.2717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.404 g/mol  logS: -3.83874  SlogP: 2.5041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0658975  Sterimol/B1: 1.99096  Sterimol/B2: 3.29679  Sterimol/B3: 3.92933
  Sterimol/B4: 9.57721  Sterimol/L: 14.4004 
 
 Surface and Volume Properties
  Accessible surface: 553.143  Positive charged surface: 444.44  Negative charged surface: 108.703  Volume: 291
  Hydrophobic surface: 391.734  Hydrophilic surface: 161.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.