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


CHEMBRIDGE-ZINC02029745

 MMsINC code: MMs00700711
Type: Neutral
Formula: C26H22Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1C(=O)N(CCCCN1C(=O)c2c(cccc2)C1=O)c1ccc(cc1)C
InChI:   InChI=1/C26H22Cl2N2O3/c1-17-8-11-19(12-9-17)29(26(33)22-13-10-18(27)16-23(22)28)14-4-5-15-30-24(31)20-6-2-3-7-21(20)25(30)32/h2-3,6-13,16H,4-5,14-15H2,1H3

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)=155.099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 481.379 g/mol  logS: -7.93911  SlogP: 6.02502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0325893  Sterimol/B1: 2.16635  Sterimol/B2: 3.20844  Sterimol/B3: 3.40948
  Sterimol/B4: 13.1935  Sterimol/L: 18.3533 
 
 Surface and Volume Properties
  Accessible surface: 749.843  Positive charged surface: 354.913  Negative charged surface: 394.93  Volume: 431.375
  Hydrophobic surface: 659.21  Hydrophilic surface: 90.633
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.