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


NANOSIN-ZINC01883948

 MMsINC code: MMs02199784
Type: Neutral
Formula: C26H32Cl4N4O2+2
SMILES:   Clc1cc2n(CC)c([n+](c2cc1Cl)CCOCCOCC[n+]1c2cc(Cl)c(Cl)cc2n(CC
)c1C)C
InChI:   InChI=1/C26H32Cl4N4O2/c1-5-31-17(3)33(25-15-21(29)19(27)13-23(25)31)7-9-35-11-12-36-10-8-34-18(4)32(6-2)24-14-20(28)22(30)16-26(24)34/h13-16H,5-12H2,1-4H3/q+2

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)=92.9882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 574.38 g/mol  logS: -7.40732  SlogP: 7.24024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778036  Sterimol/B1: 2.10881  Sterimol/B2: 4.86206  Sterimol/B3: 7.35372
  Sterimol/B4: 7.52193  Sterimol/L: 23.742 
 
 Surface and Volume Properties
  Accessible surface: 900.73  Positive charged surface: 516.526  Negative charged surface: 384.204  Volume: 520.875
  Hydrophobic surface: 780.601  Hydrophilic surface: 120.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 4
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.