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


CHEMBRIDGE-ZINC00672756

 MMsINC code: MMs00639297
Type: Neutral
Formula: C20H20Cl2N2O2
SMILES:   Clc1ccccc1C(=O)NC1CCCCC1NC(=O)c1ccccc1Cl
InChI:   InChI=1/C20H20Cl2N2O2/c21-15-9-3-1-7-13(15)19(25)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22/h1-4,7-10,17-18H,5-6,11-12H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1

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)=83.0518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.298 g/mol  logS: -5.89598  SlogP: 4.4644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141579  Sterimol/B1: 2.87282  Sterimol/B2: 2.88597  Sterimol/B3: 5.88158
  Sterimol/B4: 9.52698  Sterimol/L: 14.3902 
 
 Surface and Volume Properties
  Accessible surface: 631.76  Positive charged surface: 324.9  Negative charged surface: 306.86  Volume: 351.75
  Hydrophobic surface: 592.334  Hydrophilic surface: 39.426
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.