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


NCID-ZINC01635593

 MMsINC code: MMs02279320
Type: Neutral
Formula: C11H25NO
SMILES:   OC(CN(CCCC)CCCC)C
InChI:   InChI=1/C11H25NO/c1-4-6-8-12(9-7-5-2)10-11(3)13/h11,13H,4-10H2,1-3H3/t11-/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)=40.7756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.327 g/mol  logS: -1.7015  SlogP: 2.2694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.094922  Sterimol/B1: 2.44715  Sterimol/B2: 2.65837  Sterimol/B3: 3.75213
  Sterimol/B4: 6.25056  Sterimol/L: 14.6371 
 
 Surface and Volume Properties
  Accessible surface: 462.27  Positive charged surface: 369.752  Negative charged surface: 92.5174  Volume: 222.375
  Hydrophobic surface: 360.668  Hydrophilic surface: 101.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02279321
NCID-ZINC01635593