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


ENAMINE-ZINC03430360

 MMsINC code: MMs01437147
Type: Neutral
Formula: C19H20N4
SMILES:   n1c(nc2c(cccc2)c1N1CC(CCC1)C)-c1cccnc1
InChI:   InChI=1/C19H20N4/c1-14-6-5-11-23(13-14)19-16-8-2-3-9-17(16)21-18(22-19)15-7-4-10-20-12-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1

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)=93.5048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.397 g/mol  logS: -4.75653  SlogP: 3.9281  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116985  Sterimol/B1: 2.43644  Sterimol/B2: 3.82131  Sterimol/B3: 6.06418
  Sterimol/B4: 8.76949  Sterimol/L: 14.34 
 
 Surface and Volume Properties
  Accessible surface: 559.826  Positive charged surface: 388.912  Negative charged surface: 161.709  Volume: 308.625
  Hydrophobic surface: 491.835  Hydrophilic surface: 67.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.