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


ASINEX-ZINC00921835

 MMsINC code: MMs00221580
Type: Neutral
Formula: C19H13Cl2NO5
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(OCc1cc2OCOc2cc1)=O
InChI:   InChI=1/C19H13Cl2NO5/c1-10-16(18(22-27-10)17-12(20)3-2-4-13(17)21)19(23)24-8-11-5-6-14-15(7-11)26-9-25-14/h2-7H,8-9H2,1H3

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)=93.9751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.221 g/mol  logS: -6.31311  SlogP: 5.30892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122324  Sterimol/B1: 2.12407  Sterimol/B2: 4.49841  Sterimol/B3: 4.85834
  Sterimol/B4: 10.3284  Sterimol/L: 14.091 
 
 Surface and Volume Properties
  Accessible surface: 620.397  Positive charged surface: 298.246  Negative charged surface: 322.151  Volume: 338
  Hydrophobic surface: 521.668  Hydrophilic surface: 98.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.