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


PUBCHEM-ZINC03757878

 MMsINC code: MMs03072414
Type: Neutral
Formula: C19H16ClNO2
SMILES:   Clc1cc(c2nc(cc(c2c1)C(O)=O)-c1cc(C)c(cc1)C)C
InChI:   InChI=1/C19H16ClNO2/c1-10-4-5-13(6-11(10)2)17-9-16(19(22)23)15-8-14(20)7-12(3)18(15)21-17/h4-9H,1-3H3,(H,22,23)

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)=87.6243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.795 g/mol  logS: -6.1806  SlogP: 5.17866  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00978626  Sterimol/B1: 2.46398  Sterimol/B2: 2.51347  Sterimol/B3: 5.79759
  Sterimol/B4: 6.00855  Sterimol/L: 16.2466 
 
 Surface and Volume Properties
  Accessible surface: 553.011  Positive charged surface: 272.844  Negative charged surface: 270.124  Volume: 305
  Hydrophobic surface: 448.992  Hydrophilic surface: 104.019
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03072415
PUBCHEM-ZINC03757878