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PUBCHEM-ZINC05962929

 MMsINC code: MMs03463231
Type: Ionized
Formula: C15H39N4+3
SMILES:   [NH+](C(C)C)(CCNCC[NH2+]C(C)C)CC[NH2+]C(C)C
InChI:   InChI=1/C15H36N4/c1-13(2)17-8-7-16-9-11-19(15(5)6)12-10-18-14(3)4/h13-18H,7-12H2,1-6H3/p+3

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Potential Energy
Epot(MMFF94)=90.7627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.505 g/mol  logS: -0.67934  SlogP: -2.1871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468023  Sterimol/B1: 2.88741  Sterimol/B2: 3.44845  Sterimol/B3: 3.73838
  Sterimol/B4: 8.44405  Sterimol/L: 19.1635 
 
 Surface and Volume Properties
  Accessible surface: 653.955  Positive charged surface: 537.256  Negative charged surface: 116.698  Volume: 341.625
  Hydrophobic surface: 464.346  Hydrophilic surface: 189.609
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 3
  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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Parent related molecule:


MMs03463230
PUBCHEM-ZINC05962929