logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC01600015

 MMsINC code: MMs02253219
Type: Neutral
Formula: C11H26N+
SMILES:   [NH3+]CC(C(C)C)(C(C)C)C(C)C
InChI:   InChI=1/C11H25N/c1-8(2)11(7-12,9(3)4)10(5)6/h8-10H,7,12H2,1-6H3/p+1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=52.0887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.336 g/mol  logS: -3.28135  SlogP: 2.1827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.751915  Sterimol/B1: 2.45837  Sterimol/B2: 4.08096  Sterimol/B3: 4.83489
  Sterimol/B4: 5.37503  Sterimol/L: 8.54211 
 
 Surface and Volume Properties
  Accessible surface: 386.638  Positive charged surface: 295.936  Negative charged surface: 90.7022  Volume: 221.375
  Hydrophobic surface: 246.362  Hydrophilic surface: 140.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02253220
NCID-ZINC01600015