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


PUBCHEM-ZINC03603676

 MMsINC code: MMs03019769
Type: Neutral
Formula: C13H21NO
SMILES:   O(CCCCC)c1ccc(cc1)CCN
InChI:   InChI=1/C13H21NO/c1-2-3-4-11-15-13-7-5-12(6-8-13)9-10-14/h5-8H,2-4,9-11,14H2,1H3

Download   format file 
Drug Similarity  |  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)=31.7851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.317 g/mol  logS: -2.72107  SlogP: 2.75677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0271136  Sterimol/B1: 2.27361  Sterimol/B2: 2.77684  Sterimol/B3: 2.92454
  Sterimol/B4: 5.35581  Sterimol/L: 17.7581 
 
 Surface and Volume Properties
  Accessible surface: 497.574  Positive charged surface: 372.903  Negative charged surface: 124.671  Volume: 234.75
  Hydrophobic surface: 400.912  Hydrophilic surface: 96.662
 
 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


MMs03019770
PUBCHEM-ZINC03603676