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


OAKWOOD-ZINC04290665

 MMsINC code: MMs02551247
Type: Neutral
Formula: C9H20N2
SMILES:   N(CCNC)C1CCCCC1
InChI:   InChI=1/C9H20N2/c1-10-7-8-11-9-5-3-2-4-6-9/h9-11H,2-8H2,1H3

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)=8.0308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.273 g/mol  logS: -0.59556  SlogP: 1.1281  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.068872  Sterimol/B1: 2.88793  Sterimol/B2: 3.02175  Sterimol/B3: 3.70891
  Sterimol/B4: 3.92087  Sterimol/L: 13.7136 
 
 Surface and Volume Properties
  Accessible surface: 400.775  Positive charged surface: 353.792  Negative charged surface: 46.9828  Volume: 185.125
  Hydrophobic surface: 361.433  Hydrophilic surface: 39.342
 
 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


MMs02551249
OAKWOOD-ZINC04290665


MMs02551248
OAKWOOD-ZINC04290665