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PUBCHEM-ZINC02013045

 MMsINC code: MMs02850322
Type: Neutral
Formula: C14H27N5
SMILES:   n1c(nc(nc1NCCCC)NCCCC)CCC
InChI:   InChI=1/C14H27N5/c1-4-7-10-15-13-17-12(9-6-3)18-14(19-13)16-11-8-5-2/h4-11H2,1-3H3,(H2,15,16,17,18,19)

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Potential Energy
Epot(MMFF94)=-57.9388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.405 g/mol  logS: -4.04428  SlogP: 3.24807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0424854  Sterimol/B1: 1.99793  Sterimol/B2: 2.7619  Sterimol/B3: 2.94656
  Sterimol/B4: 12.4792  Sterimol/L: 14.8676 
 
 Surface and Volume Properties
  Accessible surface: 607.559  Positive charged surface: 488.594  Negative charged surface: 118.965  Volume: 293.375
  Hydrophobic surface: 440.414  Hydrophilic surface: 167.145
 
 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.