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


PUBCHEM-ZINC02505821

 MMsINC code: MMs02890166
Type: Neutral
Formula: C17H12ClNO2
SMILES:   Clc1c2nc(cc(c2ccc1)C(O)=O)-c1ccc(cc1)C
InChI:   InChI=1/C17H12ClNO2/c1-10-5-7-11(8-6-10)15-9-13(17(20)21)12-3-2-4-14(18)16(12)19-15/h2-9H,1H3,(H,20,21)

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)=82.1509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.741 g/mol  logS: -5.54621  SlogP: 4.56182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00371766  Sterimol/B1: 2.10907  Sterimol/B2: 2.5123  Sterimol/B3: 5.67535
  Sterimol/B4: 6.15072  Sterimol/L: 15.0819 
 
 Surface and Volume Properties
  Accessible surface: 509.496  Positive charged surface: 239.969  Negative charged surface: 258.907  Volume: 270.625
  Hydrophobic surface: 404.156  Hydrophilic surface: 105.34
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02890167
PUBCHEM-ZINC02505821