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


CHEMBRIDGE-ZINC00423339

 MMsINC code: MMs00612412
Type: Neutral
Formula: C19H25N4+
SMILES:   [nH+]1c2cc(NCc3ccc(N(CC)CC)cc3)ccc2n(c1)C
InChI:   InChI=1/C19H24N4/c1-4-23(5-2)17-9-6-15(7-10-17)13-20-16-8-11-19-18(12-16)21-14-22(19)3/h6-12,14,20H,4-5,13H2,1-3H3/p+1

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)=59.2921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.437 g/mol  logS: -3.82039  SlogP: 4.0763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474483  Sterimol/B1: 2.09855  Sterimol/B2: 3.23991  Sterimol/B3: 4.05909
  Sterimol/B4: 6.44583  Sterimol/L: 18.946 
 
 Surface and Volume Properties
  Accessible surface: 612.998  Positive charged surface: 471.448  Negative charged surface: 141.55  Volume: 335
  Hydrophobic surface: 451.337  Hydrophilic surface: 161.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 3
  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


MMs00612413
CHEMBRIDGE-ZINC00423339