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


PUBCHEM-ZINC02030918

 MMsINC code: MMs02858897
Type: Neutral
Formula: C11H25N
SMILES:   NC(CCC(CCCC)CC)C
InChI:   InChI=1/C11H25N/c1-4-6-7-11(5-2)9-8-10(3)12/h10-11H,4-9,12H2,1-3H3/t10-,11-/m1/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)=11.5662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.328 g/mol  logS: -3.74463  SlogP: 3.3302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732527  Sterimol/B1: 2.5693  Sterimol/B2: 3.06975  Sterimol/B3: 3.33254
  Sterimol/B4: 7.04129  Sterimol/L: 13.2169 
 
 Surface and Volume Properties
  Accessible surface: 452.722  Positive charged surface: 353.63  Negative charged surface: 99.0922  Volume: 216.25
  Hydrophobic surface: 331.752  Hydrophilic surface: 120.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02858898
PUBCHEM-ZINC02030918