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


NCID-ZINC01690879

 MMsINC code: MMs02323080
Type: Neutral
Formula: C11H25NO
SMILES:   OCCN(C(CCC)CCC)CC
InChI:   InChI=1/C11H25NO/c1-4-7-11(8-5-2)12(6-3)9-10-13/h11,13H,4-10H2,1-3H3

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)=51.8378 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: 0.373347  Sterimol/B1: 2.47212  Sterimol/B2: 4.12142  Sterimol/B3: 4.61774
  Sterimol/B4: 6.10946  Sterimol/L: 12.1992 
 
 Surface and Volume Properties
  Accessible surface: 439.568  Positive charged surface: 344.723  Negative charged surface: 94.845  Volume: 223.875
  Hydrophobic surface: 327.799  Hydrophilic surface: 111.769
 
 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


MMs02323081
NCID-ZINC01690879