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


PUBCHEM-ZINC03757144

 MMsINC code: MMs03071702
Type: Neutral
Formula: C18H14ClNO4
SMILES:   Clc1cc2c(nc(cc2C(O)=O)-c2cc(OC)ccc2OC)cc1
InChI:   InChI=1/C18H14ClNO4/c1-23-11-4-6-17(24-2)14(8-11)16-9-13(18(21)22)12-7-10(19)3-5-15(12)20-16/h3-9H,1-2H3,(H,21,22)

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)=105.674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.766 g/mol  logS: -5.17305  SlogP: 4.2706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00649806  Sterimol/B1: 2.37295  Sterimol/B2: 2.39649  Sterimol/B3: 4.50316
  Sterimol/B4: 7.68928  Sterimol/L: 16.5878 
 
 Surface and Volume Properties
  Accessible surface: 558.937  Positive charged surface: 328.621  Negative charged surface: 219.225  Volume: 303.75
  Hydrophobic surface: 440.448  Hydrophilic surface: 118.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03071703
PUBCHEM-ZINC03757144