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


PUBCHEM-ZINC03757859

 MMsINC code: MMs03072400
Type: Neutral
Formula: C14H12ClNO2
SMILES:   Clc1cc(c2nc(cc(c2c1)C(O)=O)C1CC1)C
InChI:   InChI=1/C14H12ClNO2/c1-7-4-9(15)5-10-11(14(17)18)6-12(8-2-3-8)16-13(7)10/h4-6,8H,2-3H2,1H3,(H,17,18)

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)=63.509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.708 g/mol  logS: -3.45247  SlogP: 3.77222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416981  Sterimol/B1: 1.969  Sterimol/B2: 2.61581  Sterimol/B3: 3.37713
  Sterimol/B4: 8.92057  Sterimol/L: 13.3395 
 
 Surface and Volume Properties
  Accessible surface: 463.265  Positive charged surface: 242.383  Negative charged surface: 215.572  Volume: 236.625
  Hydrophobic surface: 321.841  Hydrophilic surface: 141.424
 
 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


MMs03072401
PUBCHEM-ZINC03757859