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


NANOSIN-ZINC04256567

MMsINC code: MMs02204827

Type: Neutral
Formula: C20H37N5O8
SMILES:   OC(=O)CN(CC(=O)NC(C)C)CCN(CCN(CC(=O)NC(C)C)CC(O)=O)CC(O)=O
InChI:   InChI=1/C20H37N5O8/c1-14(2)21-16(26)9-24(12-19(30)31)7-5-23(11-18(28)29)6-8-25(13-20(32)33)10-17(27)22-15(3)4/h14-15H,5-13H2,1-4H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33)

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)=148.28 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 475.543 g/mol  logS: -0.92571  SlogP: -1.8046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171187  Sterimol/B1: 3.19819  Sterimol/B2: 5.40759  Sterimol/B3: 6.71566
  Sterimol/B4: 10.6403  Sterimol/L: 17.868 
 
 Surface and Volume Properties
  Accessible surface: 837.929  Positive charged surface: 600.212  Negative charged surface: 237.716  Volume: 448.625
  Hydrophobic surface: 423.464  Hydrophilic surface: 414.465
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 11  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: 1  Oprea's lead like rule: 0

  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02204828
NANOSIN-ZINC04256567