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


PUBCHEM-ZINC05614461

 MMsINC code: MMs03324985
Type: Neutral
Formula: C16H30N2O
SMILES:   O=C(N1CCC(CC1)C)C1CCN(CC1)CC(C)C
InChI:   InChI=1/C16H30N2O/c1-13(2)12-17-8-6-15(7-9-17)16(19)18-10-4-14(3)5-11-18/h13-15H,4-12H2,1-3H3

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)=29.7981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.429 g/mol  logS: -1.86399  SlogP: 2.6129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710814  Sterimol/B1: 2.68692  Sterimol/B2: 3.29098  Sterimol/B3: 3.91869
  Sterimol/B4: 5.47766  Sterimol/L: 16.8004 
 
 Surface and Volume Properties
  Accessible surface: 539.972  Positive charged surface: 433.407  Negative charged surface: 106.565  Volume: 295.25
  Hydrophobic surface: 452.805  Hydrophilic surface: 87.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03324986
PUBCHEM-ZINC05614461