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


PUBCHEM-ZINC00280322

 MMsINC code: MMs02649954
Type: Neutral
Formula: C16H34N2O
SMILES:   OC(CCCC(NC1CCN(CC1)CCC)C)(C)C
InChI:   InChI=1/C16H34N2O/c1-5-11-18-12-8-15(9-13-18)17-14(2)7-6-10-16(3,4)19/h14-15,17,19H,5-13H2,1-4H3/t14-/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)=21.7991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.461 g/mol  logS: -1.72113  SlogP: 2.7801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669281  Sterimol/B1: 2.96754  Sterimol/B2: 3.22555  Sterimol/B3: 3.60039
  Sterimol/B4: 7.12605  Sterimol/L: 17.3835 
 
 Surface and Volume Properties
  Accessible surface: 582.075  Positive charged surface: 464.134  Negative charged surface: 117.941  Volume: 313.625
  Hydrophobic surface: 451.6  Hydrophilic surface: 130.475
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02649955
PUBCHEM-ZINC00280322