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


PUBCHEM-ZINC01236733

 MMsINC code: MMs02791055
Type: Neutral
Formula: C23H15FO5
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)

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)=109.925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.366 g/mol  logS: -6.63115  SlogP: 4.8289  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319318  Sterimol/B1: 2.40687  Sterimol/B2: 3.46367  Sterimol/B3: 3.95679
  Sterimol/B4: 4.96058  Sterimol/L: 22.5827 
 
 Surface and Volume Properties
  Accessible surface: 645.694  Positive charged surface: 327.463  Negative charged surface: 318.231  Volume: 348
  Hydrophobic surface: 486.991  Hydrophilic surface: 158.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02791056
PUBCHEM-ZINC01236733