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


PUBCHEM-ZINC01236733

 MMsINC code: MMs02791056
Type: Ionized
Formula: C23H14FO5-
SMILES:   Fc1ccc(cc1)C1=Cc2c(OC1=O)cc(OCc1ccc(cc1)C(=O)[O-])cc2
InChI:   InChI=1/C23H15FO5/c24-18-8-5-15(6-9-18)20-11-17-7-10-19(12-21(17)29-23(20)27)28-13-14-1-3-16(4-2-14)22(25)26/h1-12H,13H2,(H,25,26)/p-1

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)=101.203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.358 g/mol  logS: -6.8916  SlogP: 3.4942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.026866  Sterimol/B1: 2.67248  Sterimol/B2: 3.07005  Sterimol/B3: 4.30578
  Sterimol/B4: 5.62248  Sterimol/L: 22.4413 
 
 Surface and Volume Properties
  Accessible surface: 647.545  Positive charged surface: 306.691  Negative charged surface: 340.854  Volume: 350.625
  Hydrophobic surface: 496.648  Hydrophilic surface: 150.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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:  
   
Parent related molecule:


MMs02791055
PUBCHEM-ZINC01236733