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


PUBCHEM-ZINC01848456

 MMsINC code: MMs02824885
Type: Neutral
Formula: C11H26N2
SMILES:   N(C(C)C)(C(C)C)CCNC(C)C
InChI:   InChI=1/C11H26N2/c1-9(2)12-7-8-13(10(3)4)11(5)6/h9-12H,7-8H2,1-6H3

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)=57.0603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.343 g/mol  logS: -1.21863  SlogP: 2.1032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172308  Sterimol/B1: 2.42933  Sterimol/B2: 3.14987  Sterimol/B3: 4.84493
  Sterimol/B4: 5.12203  Sterimol/L: 12.9255 
 
 Surface and Volume Properties
  Accessible surface: 446.498  Positive charged surface: 325.86  Negative charged surface: 120.638  Volume: 227.875
  Hydrophobic surface: 314.243  Hydrophilic surface: 132.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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


MMs02824886
PUBCHEM-ZINC01848456