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


PUBCHEM-ZINC02027670

 MMsINC code: MMs02857950
Type: Neutral
Formula: C11H25N
SMILES:   N(C(C(C)C)C)CCCCCC
InChI:   InChI=1/C11H25N/c1-5-6-7-8-9-12-11(4)10(2)3/h10-12H,5-9H2,1-4H3/t11-/m0/s1

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)=5.39478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.328 g/mol  logS: -2.49008  SlogP: 3.2008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468651  Sterimol/B1: 2.73504  Sterimol/B2: 3.17204  Sterimol/B3: 3.75892
  Sterimol/B4: 4.26795  Sterimol/L: 15.7929 
 
 Surface and Volume Properties
  Accessible surface: 457.834  Positive charged surface: 359.382  Negative charged surface: 98.4522  Volume: 218.125
  Hydrophobic surface: 364.949  Hydrophilic surface: 92.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02857951
PUBCHEM-ZINC02027670