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


PUBCHEM-ZINC00655910

 MMsINC code: MMs02721535
Type: Neutral
Formula: C23H26N4O2
SMILES:   O(C)c1ccc(N2CCN(CC2)C(=O)c2c(n(nc2C)-c2ccccc2)C)cc1
InChI:   InChI=1/C23H26N4O2/c1-17-22(18(2)27(24-17)20-7-5-4-6-8-20)23(28)26-15-13-25(14-16-26)19-9-11-21(29-3)12-10-19/h4-12H,13-16H2,1-3H3

Download   format file 
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)=178.821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.487 g/mol  logS: -4.12668  SlogP: 3.46014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0687054  Sterimol/B1: 2.4147  Sterimol/B2: 4.90667  Sterimol/B3: 4.98693
  Sterimol/B4: 6.44122  Sterimol/L: 21.0039 
 
 Surface and Volume Properties
  Accessible surface: 669.889  Positive charged surface: 436.63  Negative charged surface: 233.26  Volume: 391.375
  Hydrophobic surface: 606.956  Hydrophilic surface: 62.933
 
 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: no related molecules available.