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


CHEMBRIDGE-ZINC00617284

 MMsINC code: MMs00634891
Type: Neutral
Formula: C19H25N4+
SMILES:   [nH+]1c2c(n(C)c1NCc1ccc(N(CC)CC)cc1)cccc2
InChI:   InChI=1/C19H24N4/c1-4-23(5-2)16-12-10-15(11-13-16)14-20-19-21-17-8-6-7-9-18(17)22(19)3/h6-13H,4-5,14H2,1-3H3,(H,20,21)/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)=20.0512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.437 g/mol  logS: -4.42213  SlogP: 4.0763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558103  Sterimol/B1: 1.99314  Sterimol/B2: 2.88589  Sterimol/B3: 4.47161
  Sterimol/B4: 6.28523  Sterimol/L: 18.139 
 
 Surface and Volume Properties
  Accessible surface: 616.135  Positive charged surface: 446.774  Negative charged surface: 169.361  Volume: 334
  Hydrophobic surface: 483.998  Hydrophilic surface: 132.137
 
 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


MMs00634892
CHEMBRIDGE-ZINC00617284