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


PUBCHEM-ZINC00473937

 MMsINC code: MMs02688136
Type: Neutral
Formula: C14H25NO
SMILES:   O=C(N1CCC(CC1)C)CCC1CCCC1
InChI:   InChI=1/C14H25NO/c1-12-8-10-15(11-9-12)14(16)7-6-13-4-2-3-5-13/h12-13H,2-11H2,1H3

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)=23.8599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.36 g/mol  logS: -3.60968  SlogP: 3.2153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603294  Sterimol/B1: 2.71546  Sterimol/B2: 3.0223  Sterimol/B3: 4.19691
  Sterimol/B4: 4.75069  Sterimol/L: 15.5736 
 
 Surface and Volume Properties
  Accessible surface: 490.856  Positive charged surface: 398.158  Negative charged surface: 92.6984  Volume: 249.75
  Hydrophobic surface: 438.634  Hydrophilic surface: 52.222
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.