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


PUBCHEM-ZINC02560589

 MMsINC code: MMs02901093
Type: Neutral
Formula: C10H24N2
SMILES:   N(CCCCNCCC)CCC
InChI:   InChI=1/C10H24N2/c1-3-7-11-9-5-6-10-12-8-4-2/h11-12H,3-10H2,1-2H3

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)=-11.1601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -0.58592  SlogP: 1.7658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223074  Sterimol/B1: 2.60164  Sterimol/B2: 2.61868  Sterimol/B3: 2.65232
  Sterimol/B4: 3.06847  Sterimol/L: 18.2848 
 
 Surface and Volume Properties
  Accessible surface: 482.458  Positive charged surface: 406.209  Negative charged surface: 76.2497  Volume: 217.25
  Hydrophobic surface: 398.375  Hydrophilic surface: 84.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02901094
PUBCHEM-ZINC02560589