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


PUBCHEM-ZINC06778683

 MMsINC code: MMs03858795
Type: Neutral
Formula: C9H19N
SMILES:   N1CC(CCC1)CCCC
InChI:   InChI=1/C9H19N/c1-2-3-5-9-6-4-7-10-8-9/h9-10H,2-8H2,1H3/t9-/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)=3.01847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.258 g/mol  logS: -1.85906  SlogP: 2.1762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774171  Sterimol/B1: 2.77919  Sterimol/B2: 3.10076  Sterimol/B3: 3.36313
  Sterimol/B4: 4.19953  Sterimol/L: 12.4808 
 
 Surface and Volume Properties
  Accessible surface: 373.296  Positive charged surface: 316.453  Negative charged surface: 56.8421  Volume: 171.875
  Hydrophobic surface: 317.607  Hydrophilic surface: 55.689
 
 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


MMs03858796
PUBCHEM-ZINC06778683