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


CHEMDIV-ZINC04901034

 MMsINC code: MMs00962083
Type: Neutral
Formula: C25H26N4O2
SMILES:   O(C)c1ccc(cc1)Cn1c2ncccc2nc1CCC(=O)Nc1ccc(cc1)CC
InChI:   InChI=1/C25H26N4O2/c1-3-18-6-10-20(11-7-18)27-24(30)15-14-23-28-22-5-4-16-26-25(22)29(23)17-19-8-12-21(31-2)13-9-19/h4-13,16H,3,14-15,17H2,1-2H3,(H,27,30)

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)=98.538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.509 g/mol  logS: -6.23013  SlogP: 4.88824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417579  Sterimol/B1: 2.94392  Sterimol/B2: 4.65864  Sterimol/B3: 6.23176
  Sterimol/B4: 6.96324  Sterimol/L: 20.3784 
 
 Surface and Volume Properties
  Accessible surface: 740.621  Positive charged surface: 508.912  Negative charged surface: 231.709  Volume: 412.625
  Hydrophobic surface: 628.693  Hydrophilic surface: 111.928
 
 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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.