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


PUBCHEM-ZINC02519966

 MMsINC code: MMs02892118
Type: Neutral
Formula: C26H22ClN5O2
SMILES:   Clc1cccc(NC(=O)C(=O)N\N=C\c2cn(nc2-c2ccc(cc2)C)-c2ccccc2)c1C
InChI:   InChI=1/C26H22ClN5O2/c1-17-11-13-19(14-12-17)24-20(16-32(31-24)21-7-4-3-5-8-21)15-28-30-26(34)25(33)29-23-10-6-9-22(27)18(23)2/h3-16H,1-2H3,(H,29,33)(H,30,34)/b28-15+

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)=157.898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 471.948 g/mol  logS: -7.68445  SlogP: 4.89834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0146626  Sterimol/B1: 2.41129  Sterimol/B2: 2.92805  Sterimol/B3: 3.24112
  Sterimol/B4: 10.1991  Sterimol/L: 22.969 
 
 Surface and Volume Properties
  Accessible surface: 771.436  Positive charged surface: 411.592  Negative charged surface: 359.845  Volume: 438.625
  Hydrophobic surface: 646.139  Hydrophilic surface: 125.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.