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


PUBCHEM-ZINC03671669

 MMsINC code: MMs03037599
Type: Neutral
Formula: C23H24N4
SMILES:   [nH]1cc(c2c1cccc2)CCN1CCN(CC1)c1nc2c(cc1)cccc2
InChI:   InChI=1/C23H24N4/c1-3-7-21-18(5-1)9-10-23(25-21)27-15-13-26(14-16-27)12-11-19-17-24-22-8-4-2-6-20(19)22/h1-10,17,24H,11-16H2

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)=132.436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.473 g/mol  logS: -4.37809  SlogP: 4.08077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228499  Sterimol/B1: 2.4872  Sterimol/B2: 3.93183  Sterimol/B3: 4.21375
  Sterimol/B4: 5.39338  Sterimol/L: 20.6856 
 
 Surface and Volume Properties
  Accessible surface: 654.582  Positive charged surface: 430.07  Negative charged surface: 214.052  Volume: 363.5
  Hydrophobic surface: 579.531  Hydrophilic surface: 75.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03037600
PUBCHEM-ZINC03671669