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


NANOSIN-ZINC04258013

 MMsINC code: MMs02205623
Type: Neutral
Formula: C20H38N4O6
SMILES:   OC(=O)CN(CC(=O)NCCC(C)C)CCN(CC(=O)NCCC(C)C)CC(O)=O
InChI:   InChI=1/C20H38N4O6/c1-15(2)5-7-21-17(25)11-23(13-19(27)28)9-10-24(14-20(29)30)12-18(26)22-8-6-16(3)4/h15-16H,5-14H2,1-4H3,(H,21,25)(H,22,26)(H,27,28)(H,29,30)

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)=119.578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.546 g/mol  logS: -2.84198  SlogP: 0.0842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100835  Sterimol/B1: 2.3658  Sterimol/B2: 3.12596  Sterimol/B3: 8.50153
  Sterimol/B4: 10.2907  Sterimol/L: 20.6829 
 
 Surface and Volume Properties
  Accessible surface: 815.188  Positive charged surface: 600.646  Negative charged surface: 214.542  Volume: 427.875
  Hydrophobic surface: 474.055  Hydrophilic surface: 341.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02205624
NANOSIN-ZINC04258013