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


CHEMSTAR-ZINC03901893

 MMsINC code: MMs01085933
Type: Neutral
Formula: C20H38N4O2
SMILES:   O=C(NCCN1CCCC1)CCCCCCC(=O)NCCN1CCCC1
InChI:   InChI=1/C20H38N4O2/c25-19(21-11-17-23-13-5-6-14-23)9-3-1-2-4-10-20(26)22-12-18-24-15-7-8-16-24/h1-18H2,(H,21,25)(H,22,26)

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)=31.3488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.55 g/mol  logS: -2.03404  SlogP: 1.751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.009197  Sterimol/B1: 2.21384  Sterimol/B2: 2.78638  Sterimol/B3: 3.19868
  Sterimol/B4: 4.68945  Sterimol/L: 27.6793 
 
 Surface and Volume Properties
  Accessible surface: 768.397  Positive charged surface: 653.215  Negative charged surface: 115.182  Volume: 394.875
  Hydrophobic surface: 660.695  Hydrophilic surface: 107.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01085934
CHEMSTAR-ZINC03901893