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CHEMBRIDGE-ZINC00270578

 MMsINC code: MMs00599165
Type: Neutral
Formula: C15H30N6
SMILES:   n1c(nc(nc1N(CCC)CCC)N)N(CCC)CCC
InChI:   InChI=1/C15H30N6/c1-5-9-20(10-6-2)14-17-13(16)18-15(19-14)21(11-7-3)12-8-4/h5-12H2,1-4H3,(H2,16,17,18,19)

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Potential Energy
Epot(MMFF94)=-67.538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.447 g/mol  logS: -3.94704  SlogP: 2.7066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0816169  Sterimol/B1: 2.59023  Sterimol/B2: 3.56952  Sterimol/B3: 4.13296
  Sterimol/B4: 8.14759  Sterimol/L: 15.2528 
 
 Surface and Volume Properties
  Accessible surface: 595.819  Positive charged surface: 472.643  Negative charged surface: 123.177  Volume: 324.125
  Hydrophobic surface: 394.769  Hydrophilic surface: 201.05
 
 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.