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


PUBCHEM-ZINC05833142

 MMsINC code: MMs03406578
Type: Neutral
Formula: C16H25N
SMILES:   N(CCC)(CCC)C1CCc2c(C1)cccc2
InChI:   InChI=1/C16H25N/c1-3-11-17(12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m0/s1

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)=46.8492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.383 g/mol  logS: -2.7614  SlogP: 3.66584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193768  Sterimol/B1: 2.36468  Sterimol/B2: 3.96734  Sterimol/B3: 4.13139
  Sterimol/B4: 8.71597  Sterimol/L: 13.6977 
 
 Surface and Volume Properties
  Accessible surface: 496.716  Positive charged surface: 352.197  Negative charged surface: 144.519  Volume: 265.5
  Hydrophobic surface: 450.295  Hydrophilic surface: 46.421
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03406579
PUBCHEM-ZINC05833142