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


OAKWOOD-ZINC04290675

 MMsINC code: MMs02551270
Type: Neutral
Formula: C10H22N2
SMILES:   N(CCNCC)C1CCCCC1
InChI:   InChI=1/C10H22N2/c1-2-11-8-9-12-10-6-4-3-5-7-10/h10-12H,2-9H2,1H3

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)=3.57732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.3 g/mol  logS: -0.92277  SlogP: 1.5182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561686  Sterimol/B1: 2.75327  Sterimol/B2: 3.38507  Sterimol/B3: 3.41966
  Sterimol/B4: 4.25678  Sterimol/L: 14.9871 
 
 Surface and Volume Properties
  Accessible surface: 432.855  Positive charged surface: 363.321  Negative charged surface: 69.5339  Volume: 202.75
  Hydrophobic surface: 376.292  Hydrophilic surface: 56.563
 
 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


MMs02551271
OAKWOOD-ZINC04290675