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NCID-ZINC01607671

 MMsINC code: MMs02259373
Type: Ionized
Formula: C14H31N3+2
SMILES:   [NH+]12CC(CC1CCCC2)C([NH2+]CCN(C)C)C
InChI:   InChI=1/C14H29N3/c1-12(15-7-9-16(2)3)13-10-14-6-4-5-8-17(14)11-13/h12-15H,4-11H2,1-3H3/p+2/t12-,13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=60.4891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.423 g/mol  logS: -0.61278  SlogP: -1.0428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0552178  Sterimol/B1: 2.01135  Sterimol/B2: 2.74074  Sterimol/B3: 4.79787
  Sterimol/B4: 5.31627  Sterimol/L: 16.724 
 
 Surface and Volume Properties
  Accessible surface: 524.358  Positive charged surface: 479.98  Negative charged surface: 44.3785  Volume: 284.125
  Hydrophobic surface: 468.373  Hydrophilic surface: 55.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  Chiral centers: 3
 
 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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MMs02259371
NCID-ZINC01607671