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


PUBCHEM-ZINC05308768

 MMsINC code: MMs03236447
Type: Neutral
Formula: C10H23NO
SMILES:   ON(CCCCC)CCCCC
InChI:   InChI=1/C10H23NO/c1-3-5-7-9-11(12)10-8-6-4-2/h12H,3-10H2,1-2H3

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)=10.9005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.3 g/mol  logS: -2.27971  SlogP: 3.058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0316979  Sterimol/B1: 2.4693  Sterimol/B2: 2.84544  Sterimol/B3: 2.94966
  Sterimol/B4: 3.94287  Sterimol/L: 17.109 
 
 Surface and Volume Properties
  Accessible surface: 459.576  Positive charged surface: 368.468  Negative charged surface: 91.1078  Volume: 208.25
  Hydrophobic surface: 372.931  Hydrophilic surface: 86.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.