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


ACDBLOCKS-ZINC02582585

 MMsINC code: MMs00000986
Type: Neutral
Formula: C10H20N2
SMILES:   N1CCCC1CN1CCCCC1
InChI:   InChI=1/C10H20N2/c1-2-7-12(8-3-1)9-10-5-4-6-11-10/h10-11H,1-9H2/t10-/m0/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)=18.9634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.284 g/mol  logS: -0.5619  SlogP: 1.2243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140498  Sterimol/B1: 3.07828  Sterimol/B2: 3.35428  Sterimol/B3: 3.44802
  Sterimol/B4: 3.79261  Sterimol/L: 12.1454 
 
 Surface and Volume Properties
  Accessible surface: 394.337  Positive charged surface: 342.914  Negative charged surface: 51.423  Volume: 191.25
  Hydrophobic surface: 374.08  Hydrophilic surface: 20.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00000987
ACDBLOCKS-ZINC02582585