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


PUBCHEM-ZINC05721908

 MMsINC code: MMs03359390
Type: Neutral
Formula: C16H29NO
SMILES:   O=C(N(CC1C(CC(=CC1C)C)C)CC(C)C)C
InChI:   InChI=1/C16H29NO/c1-11(2)9-17(15(6)18)10-16-13(4)7-12(3)8-14(16)5/h7,11,13-14,16H,8-10H2,1-6H3/t13-,14+,16-/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)=67.075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.414 g/mol  logS: -2.76612  SlogP: 3.7293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167218  Sterimol/B1: 2.7795  Sterimol/B2: 3.84717  Sterimol/B3: 4.20895
  Sterimol/B4: 6.8575  Sterimol/L: 13.688 
 
 Surface and Volume Properties
  Accessible surface: 498.202  Positive charged surface: 349.888  Negative charged surface: 148.314  Volume: 287.25
  Hydrophobic surface: 393.88  Hydrophilic surface: 104.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.