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ASINEX-ZINC04510822

 MMsINC code: MMs00345698
Type: Neutral
Formula: C14H24N6
SMILES:   n1c(nc(nc1N1CCCC1)NCCC)N1CCCC1
InChI:   InChI=1/C14H24N6/c1-2-7-15-12-16-13(19-8-3-4-9-19)18-14(17-12)20-10-5-6-11-20/h2-11H2,1H3,(H,15,16,17,18)

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Potential Energy
Epot(MMFF94)=44.6985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.388 g/mol  logS: -3.54044  SlogP: 1.8939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0623044  Sterimol/B1: 2.48115  Sterimol/B2: 3.18937  Sterimol/B3: 3.61947
  Sterimol/B4: 9.99321  Sterimol/L: 13.9407 
 
 Surface and Volume Properties
  Accessible surface: 555.158  Positive charged surface: 467.492  Negative charged surface: 87.6656  Volume: 285.375
  Hydrophobic surface: 438.585  Hydrophilic surface: 116.573
 
 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.