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


PUBCHEM-ZINC00212635

 MMsINC code: MMs02640240
Type: Neutral
Formula: C20H26N4O
SMILES:   O=C(N1CCCC1)c1c2c(cccc2)c(nc1)N1CCN(CC1)CC
InChI:   InChI=1/C20H26N4O/c1-2-22-11-13-23(14-12-22)19-17-8-4-3-7-16(17)18(15-21-19)20(25)24-9-5-6-10-24/h3-4,7-8,15H,2,5-6,9-14H2,1H3

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)=142.478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.455 g/mol  logS: -3.20975  SlogP: 2.6127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602036  Sterimol/B1: 2.77504  Sterimol/B2: 2.97719  Sterimol/B3: 4.49995
  Sterimol/B4: 8.40827  Sterimol/L: 17.739 
 
 Surface and Volume Properties
  Accessible surface: 613.27  Positive charged surface: 472.759  Negative charged surface: 130.996  Volume: 344.25
  Hydrophobic surface: 545.819  Hydrophilic surface: 67.451
 
 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


MMs02640241
PUBCHEM-ZINC00212635