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ENAMINE-ZINC02641812

 MMsINC code: MMs01269503
Type: Neutral
Formula: C11H23N2+
SMILES:   [NH+](/C(CCC)C)=C/1\NCCCCC\1
InChI:   InChI=1/C11H22N2/c1-3-7-10(2)13-11-8-5-4-6-9-12-11/h10H,3-9H2,1-2H3,(H,12,13)/p+1/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=1.00404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.319 g/mol  logS: -1.84097  SlogP: 0.8177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179295  Sterimol/B1: 2.53825  Sterimol/B2: 3.86183  Sterimol/B3: 4.052
  Sterimol/B4: 6.64058  Sterimol/L: 12.4602 
 
 Surface and Volume Properties
  Accessible surface: 434.152  Positive charged surface: 362.423  Negative charged surface: 71.7288  Volume: 217
  Hydrophobic surface: 347.427  Hydrophilic surface: 86.725
 
 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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Ions/Tautomers related molecules


MMs01269504
ENAMINE-ZINC02641812