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


CHEMBRIDGE-ZINC00362311

 MMsINC code: MMs00610075
Type: Neutral
Formula: C14H25NO
SMILES:   O=C(NC1CCCCC1)CCC1CCCC1
InChI:   InChI=1/C14H25NO/c16-14(11-10-12-6-4-5-7-12)15-13-8-2-1-3-9-13/h12-13H,1-11H2,(H,15,16)

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)=15.8314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.36 g/mol  logS: -3.91744  SlogP: 3.4057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0402583  Sterimol/B1: 2.97341  Sterimol/B2: 3.28939  Sterimol/B3: 3.5384
  Sterimol/B4: 3.89408  Sterimol/L: 16.2077 
 
 Surface and Volume Properties
  Accessible surface: 498.724  Positive charged surface: 401.736  Negative charged surface: 96.9877  Volume: 249.25
  Hydrophobic surface: 457.987  Hydrophilic surface: 40.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.