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


PUBCHEM-ZINC03748642

 MMsINC code: MMs03069089
Type: Neutral
Formula: C18H16FNO3
SMILES:   Fc1ccc(cc1)COc1cc2c([nH]c(C)c2CC(O)=O)cc1
InChI:   InChI=1/C18H16FNO3/c1-11-15(9-18(21)22)16-8-14(6-7-17(16)20-11)23-10-12-2-4-13(19)5-3-12/h2-8,20H,9-10H2,1H3,(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)=60.3575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.328 g/mol  logS: -4.1323  SlogP: 4.08789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534625  Sterimol/B1: 3.46797  Sterimol/B2: 3.84788  Sterimol/B3: 4.35212
  Sterimol/B4: 6.23798  Sterimol/L: 16.7781 
 
 Surface and Volume Properties
  Accessible surface: 567.926  Positive charged surface: 318.021  Negative charged surface: 246.044  Volume: 290.5
  Hydrophobic surface: 443.061  Hydrophilic surface: 124.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03069090
PUBCHEM-ZINC03748642