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


PUBCHEM-ZINC03757871

 MMsINC code: MMs03072412
Type: Neutral
Formula: C18H14ClNO2
SMILES:   Clc1cc(c2nc(cc(c2c1)C(O)=O)-c1ccccc1C)C
InChI:   InChI=1/C18H14ClNO2/c1-10-5-3-4-6-13(10)16-9-15(18(21)22)14-8-12(19)7-11(2)17(14)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)=78.3684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.768 g/mol  logS: -5.70668  SlogP: 4.87024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789022  Sterimol/B1: 2.3805  Sterimol/B2: 3.59197  Sterimol/B3: 4.6318
  Sterimol/B4: 8.01185  Sterimol/L: 15.4179 
 
 Surface and Volume Properties
  Accessible surface: 520.151  Positive charged surface: 255.342  Negative charged surface: 256.227  Volume: 289.75
  Hydrophobic surface: 422.457  Hydrophilic surface: 97.694
 
 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


MMs03072413
PUBCHEM-ZINC03757871