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


CHEMBRIDGE-ZINC02753469

 MMsINC code: MMs00715379
Type: Neutral
Formula: C19H19Cl2NO4
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)NC(C(OC)=O)c1ccccc1
InChI:   InChI=1/C19H19Cl2NO4/c1-25-19(24)18(13-6-3-2-4-7-13)22-17(23)8-5-11-26-16-10-9-14(20)12-15(16)21/h2-4,6-7,9-10,12,18H,5,8,11H2,1H3,(H,22,23)/t18-/m1/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)=81.1041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.27 g/mol  logS: -5.33617  SlogP: 4.2784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444607  Sterimol/B1: 2.21587  Sterimol/B2: 2.51296  Sterimol/B3: 5.00929
  Sterimol/B4: 8.17833  Sterimol/L: 20.0989 
 
 Surface and Volume Properties
  Accessible surface: 688.138  Positive charged surface: 368.778  Negative charged surface: 319.36  Volume: 354.625
  Hydrophobic surface: 623.27  Hydrophilic surface: 64.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.