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


ASINEX-ZINC05002989

 MMsINC code: MMs00432454
Type: Neutral
Formula: C13H24N+
SMILES:   [N+](C)(C)(C)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C13H24N/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,4-9H2,1-3H3/q+1/t10-,11+,12-,13-

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)=84.0554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.342 g/mol  logS: -2.18453  SlogP: 2.6614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.409235  Sterimol/B1: 2.56868  Sterimol/B2: 3.6144  Sterimol/B3: 3.75409
  Sterimol/B4: 5.33526  Sterimol/L: 9.65934 
 
 Surface and Volume Properties
  Accessible surface: 376.489  Positive charged surface: 338.312  Negative charged surface: 38.1768  Volume: 213.875
  Hydrophobic surface: 324.971  Hydrophilic surface: 51.518
 
 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: no related molecules available.