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


PUBCHEM-ZINC06904514

 MMsINC code: MMs03895244
Type: Neutral
Formula: C10H18N2
SMILES:   N1CCCCC1C1NCC=CC1
InChI:   InChI=1/C10H18N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1,3,9-12H,2,4-8H2/t9-,10-/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)=22.9943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.268 g/mol  logS: -0.41515  SlogP: 1.0466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138054  Sterimol/B1: 2.39824  Sterimol/B2: 2.65971  Sterimol/B3: 3.6858
  Sterimol/B4: 4.22096  Sterimol/L: 11.8665 
 
 Surface and Volume Properties
  Accessible surface: 377.417  Positive charged surface: 310.826  Negative charged surface: 66.5904  Volume: 184.625
  Hydrophobic surface: 308.631  Hydrophilic surface: 68.786
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03895245
PUBCHEM-ZINC06904514