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


PUBCHEM-ZINC01090565

 MMsINC code: MMs02767665
Type: Neutral
Formula: C11H23N
SMILES:   N(CC(CC)C1CCCCC1)C
InChI:   InChI=1/C11H23N/c1-3-10(9-12-2)11-7-5-4-6-8-11/h10-12H,3-9H2,1-2H3/t10-/m1/s1

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)=25.3151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.312 g/mol  logS: -3.07751  SlogP: 2.8123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.210634  Sterimol/B1: 2.3309  Sterimol/B2: 3.49841  Sterimol/B3: 4.09715
  Sterimol/B4: 7.30547  Sterimol/L: 11.783 
 
 Surface and Volume Properties
  Accessible surface: 406.789  Positive charged surface: 339.078  Negative charged surface: 67.7113  Volume: 205
  Hydrophobic surface: 367.466  Hydrophilic surface: 39.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs02767666
PUBCHEM-ZINC01090565