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


PUBCHEM-ZINC03651558

 MMsINC code: MMs03034177
Type: Neutral
Formula: C11H15N
SMILES:   N1CC(c2c(C1)cccc2)(C)C
InChI:   InChI=1/C11H15N/c1-11(2)8-12-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3

Download   format file 
Drug Similarity  |  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)=48.6827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.248 g/mol  logS: -1.71279  SlogP: 2.3338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.224943  Sterimol/B1: 2.492  Sterimol/B2: 2.70481  Sterimol/B3: 4.49875
  Sterimol/B4: 5.74276  Sterimol/L: 9.94475 
 
 Surface and Volume Properties
  Accessible surface: 352.77  Positive charged surface: 242.892  Negative charged surface: 109.877  Volume: 180.375
  Hydrophobic surface: 287.869  Hydrophilic surface: 64.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs03034178
PUBCHEM-ZINC03651558