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


NCID-ZINC01699925

 MMsINC code: MMs02329822
Type: Neutral
Formula: C30H40N4+2
SMILES:   [n+]1(c2c(cccc2C)c(NCCCCCCNc2cc([n+](c3c2cccc3C)C)C)cc1C)C
InChI:   InChI=1/C30H38N4/c1-21-13-11-15-25-27(19-23(3)33(5)29(21)25)31-17-9-7-8-10-18-32-28-20-24(4)34(6)30-22(2)14-12-16-26(28)30/h11-16,19-20H,7-10,17-18H2,1-6H3/p+2

Download   format file 
Drug Similarity  |  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)=200.673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.678 g/mol  logS: -5.44326  SlogP: 6.67848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0111229  Sterimol/B1: 2.616  Sterimol/B2: 4.34506  Sterimol/B3: 4.88416
  Sterimol/B4: 6.51825  Sterimol/L: 25.0385 
 
 Surface and Volume Properties
  Accessible surface: 840.476  Positive charged surface: 610.686  Negative charged surface: 220.737  Volume: 496.25
  Hydrophobic surface: 763.718  Hydrophilic surface: 76.758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 4
  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: no related molecules available.