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ASINEX-ZINC00185371

 MMsINC code: MMs00087499
Type: Neutral
Formula: C16H30N6
SMILES:   n1c(nc(nc1NC(C)(C)C)NC(C)(C)C)N1CCCCC1
InChI:   InChI=1/C16H30N6/c1-15(2,3)20-12-17-13(21-16(4,5)6)19-14(18-12)22-10-8-7-9-11-22/h7-11H2,1-6H3,(H2,17,18,19,20,21)

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Potential Energy
Epot(MMFF94)=9.77331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.458 g/mol  logS: -4.49316  SlogP: 3.2827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0979789  Sterimol/B1: 2.44987  Sterimol/B2: 3.99882  Sterimol/B3: 4.79368
  Sterimol/B4: 8.35646  Sterimol/L: 14.6001 
 
 Surface and Volume Properties
  Accessible surface: 577.253  Positive charged surface: 442.633  Negative charged surface: 134.62  Volume: 326.75
  Hydrophobic surface: 409.974  Hydrophilic surface: 167.279
 
 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.