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NCID-ZINC01730022

 MMsINC code: MMs02353079
Type: Tautomer
Formula: C11H30N3+3
SMILES:   [NH2+](C(CCC([NH3+])(C)C)(C)C)CCC[NH3+]
InChI:   InChI=1/C11H27N3/c1-10(2,13)6-7-11(3,4)14-9-5-8-12/h14H,5-9,12-13H2,1-4H3/p+3

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Potential Energy
Epot(MMFF94)=53.3621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.382 g/mol  logS: -0.58118  SlogP: -1.2389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0842621  Sterimol/B1: 2.15693  Sterimol/B2: 2.74367  Sterimol/B3: 4.55983
  Sterimol/B4: 5.52153  Sterimol/L: 15.8588 
 
 Surface and Volume Properties
  Accessible surface: 493.579  Positive charged surface: 427.832  Negative charged surface: 65.7469  Volume: 251.375
  Hydrophobic surface: 280.81  Hydrophilic surface: 212.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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:


MMs02353078
NCID-ZINC01730022