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


PUBCHEM-ZINC05840838

 MMsINC code: MMs03410689
Type: Neutral
Formula: C20H24N4
SMILES:   n1c2c(cccc2)c(N(CCN(C)C)CC)cc1-c1ncccc1
InChI:   InChI=1/C20H24N4/c1-4-24(14-13-23(2)3)20-15-19(18-11-7-8-12-21-18)22-17-10-6-5-9-16(17)20/h5-12,15H,4,13-14H2,1-3H3

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)=142.606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.44 g/mol  logS: -3.23177  SlogP: 3.6847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135168  Sterimol/B1: 2.52821  Sterimol/B2: 5.5245  Sterimol/B3: 6.02507
  Sterimol/B4: 7.36935  Sterimol/L: 15.4373 
 
 Surface and Volume Properties
  Accessible surface: 603.633  Positive charged surface: 446.966  Negative charged surface: 154.684  Volume: 336.25
  Hydrophobic surface: 544.29  Hydrophilic surface: 59.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03410690
PUBCHEM-ZINC05840838