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


PUBCHEM-ZINC01286850

 MMsINC code: MMs02794715
Type: Neutral
Formula: C19H26N4
SMILES:   n1cnc(NC2CC(NC(C2)(C)C)(C)C)cc1-c1ccccc1
InChI:   InChI=1/C19H26N4/c1-18(2)11-15(12-19(3,4)23-18)22-17-10-16(20-13-21-17)14-8-6-5-7-9-14/h5-10,13,15,23H,11-12H2,1-4H3,(H,20,21,22)

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)=47.4028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.445 g/mol  logS: -4.4188  SlogP: 3.8647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14052  Sterimol/B1: 2.33838  Sterimol/B2: 4.08651  Sterimol/B3: 6.58559
  Sterimol/B4: 6.617  Sterimol/L: 15.4463 
 
 Surface and Volume Properties
  Accessible surface: 569.906  Positive charged surface: 381.408  Negative charged surface: 182.52  Volume: 327.875
  Hydrophobic surface: 405.487  Hydrophilic surface: 164.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02794716
PUBCHEM-ZINC01286850