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


CHEMSTAR-ZINC04044757

 MMsINC code: MMs01089238
Type: Neutral
Formula: C26H24N4O3
SMILES:   O(C)c1ccccc1N=Nc1cc(C(=O)Nc2ccccc2N(C)C)c(O)c2c1cccc2
InChI:   InChI=1/C26H24N4O3/c1-30(2)23-14-8-6-12-20(23)27-26(32)19-16-22(17-10-4-5-11-18(17)25(19)31)29-28-21-13-7-9-15-24(21)33-3/h4-16,31H,1-3H3,(H,27,32)/b29-28+

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)=205.259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.503 g/mol  logS: -6.74139  SlogP: 6.2877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507414  Sterimol/B1: 3.26262  Sterimol/B2: 4.06198  Sterimol/B3: 4.19481
  Sterimol/B4: 10.4219  Sterimol/L: 16.7497 
 
 Surface and Volume Properties
  Accessible surface: 703.442  Positive charged surface: 452.802  Negative charged surface: 240.394  Volume: 425
  Hydrophobic surface: 639.454  Hydrophilic surface: 63.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.