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


IBS-ZINC05482867

 MMsINC code: MMs01952364
Type: Neutral
Formula: C23H18FNO3
SMILES:   Fc1ccc(cc1)COc1cc(O)c(cc1)-c1onc(C)c1-c1ccccc1
InChI:   InChI=1/C23H18FNO3/c1-15-22(17-5-3-2-4-6-17)23(28-25-15)20-12-11-19(13-21(20)26)27-14-16-7-9-18(24)10-8-16/h2-13,26H,14H2,1H3

Download   format file 
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)=127.798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.399 g/mol  logS: -6.91749  SlogP: 6.00712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0524969  Sterimol/B1: 3.55296  Sterimol/B2: 3.70473  Sterimol/B3: 4.81567
  Sterimol/B4: 6.91445  Sterimol/L: 18.9171 
 
 Surface and Volume Properties
  Accessible surface: 643.503  Positive charged surface: 353.807  Negative charged surface: 289.696  Volume: 354
  Hydrophobic surface: 564.412  Hydrophilic surface: 79.091
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.