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


CHEMDIV-ZINC06857920

 MMsINC code: MMs01047529
Type: Neutral
Formula: C24H22N4O2
SMILES:   O(C)c1ccc(NC(=O)c2c3c(nc(c2)C2CC2)n(nc3C)-c2ccccc2)cc1
InChI:   InChI=1/C24H22N4O2/c1-15-22-20(24(29)25-17-10-12-19(30-2)13-11-17)14-21(16-8-9-16)26-23(22)28(27-15)18-6-4-3-5-7-18/h3-7,10-14,16H,8-9H2,1-2H3,(H,25,29)

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)=145.049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.466 g/mol  logS: -6.31304  SlogP: 4.86722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0432972  Sterimol/B1: 2.502  Sterimol/B2: 2.99017  Sterimol/B3: 4.46671
  Sterimol/B4: 9.75352  Sterimol/L: 20.4907 
 
 Surface and Volume Properties
  Accessible surface: 693.348  Positive charged surface: 434.654  Negative charged surface: 252.928  Volume: 385.875
  Hydrophobic surface: 601.24  Hydrophilic surface: 92.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.