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


CHEMBRIDGE-ZINC00854722

 MMsINC code: MMs00644808
Type: Neutral
Formula: C20H16Cl2N2O2
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(=O)N1CCCc2c1cccc2
InChI:   InChI=1/C20H16Cl2N2O2/c1-12-17(19(23-26-12)18-14(21)8-4-9-15(18)22)20(25)24-11-5-7-13-6-2-3-10-16(13)24/h2-4,6,8-10H,5,7,11H2,1H3

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)=110.177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.266 g/mol  logS: -6.45802  SlogP: 5.54979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.344056  Sterimol/B1: 2.38377  Sterimol/B2: 4.64553  Sterimol/B3: 4.96081
  Sterimol/B4: 9.89128  Sterimol/L: 12.5561 
 
 Surface and Volume Properties
  Accessible surface: 558.383  Positive charged surface: 270.717  Negative charged surface: 287.666  Volume: 339.875
  Hydrophobic surface: 532.358  Hydrophilic surface: 26.025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.