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


OTAVA-ZINC01972548

MMsINC code: MMs02574925

Type: Neutral
Formula: C17H15Cl2NO4
SMILES:   Clc1cc(NC(=O)COC(=O)C(Oc2ccc(Cl)cc2)C)ccc1
InChI:   InChI=1/C17H15Cl2NO4/c1-11(24-15-7-5-12(18)6-8-15)17(22)23-10-16(21)20-14-4-2-3-13(19)9-14/h2-9,11H,10H2,1H3,(H,20,21)/t11-/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)=88.2889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.216 g/mol  logS: -5.63565  SlogP: 3.9426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294613  Sterimol/B1: 2.00859  Sterimol/B2: 3.87115  Sterimol/B3: 4.48797
  Sterimol/B4: 4.78505  Sterimol/L: 21.2977 
 
 Surface and Volume Properties
  Accessible surface: 633.05  Positive charged surface: 294.289  Negative charged surface: 338.761  Volume: 315.875
  Hydrophobic surface: 523.233  Hydrophilic surface: 109.817
 
 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.