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APOLLO-ZINC04287508

 MMsINC code: MMs00058417
Type: Neutral
Formula: C11H26N2+2
SMILES:   [NH3+]CC(C[NH+]1CCCCCC1)(C)C
InChI:   InChI=1/C11H24N2/c1-11(2,9-12)10-13-7-5-3-4-6-8-13/h3-10,12H2,1-2H3/p+2

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Potential Energy
Epot(MMFF94)=50.2126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.343 g/mol  logS: -0.69224  SlogP: -0.2866  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13482  Sterimol/B1: 2.18738  Sterimol/B2: 3.49058  Sterimol/B3: 4.64402
  Sterimol/B4: 4.75035  Sterimol/L: 12.6601 
 
 Surface and Volume Properties
  Accessible surface: 416.826  Positive charged surface: 363.491  Negative charged surface: 53.3348  Volume: 223.25
  Hydrophobic surface: 309.445  Hydrophilic surface: 107.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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


MMs00058418
APOLLO-ZINC04287508