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


INDOFINE-ZINC00057682

MMsINC code: MMs02091227

Type: Neutral
Formula: C16H12O4
SMILES:   O1c2c(ccc(OC)c2)C(=O)C(O)=C1c1ccccc1
InChI:   InChI=1/C16H12O4/c1-19-11-7-8-12-13(9-11)20-16(15(18)14(12)17)10-5-3-2-4-6-10/h2-9,18H,1H3

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)=90.471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.268 g/mol  logS: -4.27295  SlogP: 3.1971  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0316821  Sterimol/B1: 2.80598  Sterimol/B2: 2.88914  Sterimol/B3: 3.04567
  Sterimol/B4: 6.25025  Sterimol/L: 15.6464 
 
 Surface and Volume Properties
  Accessible surface: 481.75  Positive charged surface: 296.682  Negative charged surface: 185.067  Volume: 247.125
  Hydrophobic surface: 394.46  Hydrophilic surface: 87.29
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.