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


CHEMBRIDGE-ZINC04646789

 MMsINC code: MMs00774129
Type: Neutral
Formula: C20H36N2O2
SMILES:   O=C(NCCCCNC(=O)CCC1CCCC1)CCC1CCCC1
InChI:   InChI=1/C20H36N2O2/c23-19(13-11-17-7-1-2-8-17)21-15-5-6-16-22-20(24)14-12-18-9-3-4-10-18/h17-18H,1-16H2,(H,21,23)(H,22,24)

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)=22.8679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.52 g/mol  logS: -5.7056  SlogP: 3.9398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0163978  Sterimol/B1: 2.48209  Sterimol/B2: 2.5069  Sterimol/B3: 4.13143
  Sterimol/B4: 4.43982  Sterimol/L: 25.308 
 
 Surface and Volume Properties
  Accessible surface: 714.906  Positive charged surface: 588.375  Negative charged surface: 126.531  Volume: 368.25
  Hydrophobic surface: 616.069  Hydrophilic surface: 98.837
 
 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: no related molecules available.