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PUBCHEM-ZINC02013039

 MMsINC code: MMs02850317
Type: Neutral
Formula: C14H27N5
SMILES:   n1c(nc(nc1NCC(C)C)NCC(C)C)C(C)C
InChI:   InChI=1/C14H27N5/c1-9(2)7-15-13-17-12(11(5)6)18-14(19-13)16-8-10(3)4/h9-11H,7-8H2,1-6H3,(H2,15,16,17,18,19)

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Potential Energy
Epot(MMFF94)=-43.4936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.405 g/mol  logS: -3.10393  SlogP: 3.1308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.092261  Sterimol/B1: 2.79188  Sterimol/B2: 4.42994  Sterimol/B3: 4.9125
  Sterimol/B4: 8.45434  Sterimol/L: 12.9849 
 
 Surface and Volume Properties
  Accessible surface: 588.572  Positive charged surface: 446.069  Negative charged surface: 142.504  Volume: 292.5
  Hydrophobic surface: 388.059  Hydrophilic surface: 200.513
 
 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.