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PUBCHEM-ZINC03610564

 MMsINC code: MMs03021781
Type: Neutral
Formula: C13H24N6
SMILES:   n1c(nc(nc1N(CC)CC)N)NC1CCCCC1
InChI:   InChI=1/C13H24N6/c1-3-19(4-2)13-17-11(14)16-12(18-13)15-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H3,14,15,16,17,18)

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Potential Energy
Epot(MMFF94)=-69.5423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.377 g/mol  logS: -3.82573  SlogP: 2.0446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685261  Sterimol/B1: 2.2862  Sterimol/B2: 3.9193  Sterimol/B3: 4.31299
  Sterimol/B4: 6.41498  Sterimol/L: 15.2282 
 
 Surface and Volume Properties
  Accessible surface: 536.611  Positive charged surface: 437.241  Negative charged surface: 99.37  Volume: 276.5
  Hydrophobic surface: 357.627  Hydrophilic surface: 178.984
 
 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.