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ASINEX-ZINC06677782

 MMsINC code: MMs00442157
Type: Tautomer
Formula: C11H26N2+2
SMILES:   [NH2+]1CCCCC1CC[NH+](CC)CC
InChI:   InChI=1/C11H24N2/c1-3-13(4-2)10-8-11-7-5-6-9-12-11/h11-12H,3-10H2,1-2H3/p+2/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=28.8344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.343 g/mol  logS: -0.81693  SlogP: -0.5829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114862  Sterimol/B1: 2.2062  Sterimol/B2: 2.8853  Sterimol/B3: 4.0815
  Sterimol/B4: 5.43031  Sterimol/L: 13.7407 
 
 Surface and Volume Properties
  Accessible surface: 445.852  Positive charged surface: 383.877  Negative charged surface: 61.9746  Volume: 224.75
  Hydrophobic surface: 349.907  Hydrophilic surface: 95.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 1
 
 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:


MMs00442156
ASINEX-ZINC06677782