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


CHEMBLOCK-ZINC04580871

 MMsINC code: MMs00559342
Type: Neutral
Formula: C20H22FNO4
SMILES:   Fc1ccc(cc1)CC(=O)NC(CC(O)=O)c1ccc(OC(C)C)cc1
InChI:   InChI=1/C20H22FNO4/c1-13(2)26-17-9-5-15(6-10-17)18(12-20(24)25)22-19(23)11-14-3-7-16(21)8-4-14/h3-10,13,18H,11-12H2,1-2H3,(H,22,23)(H,24,25)/t18-/m1/s1

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)=68.1901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.397 g/mol  logS: -4.23792  SlogP: 3.58307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0627635  Sterimol/B1: 2.302  Sterimol/B2: 2.60352  Sterimol/B3: 5.09718
  Sterimol/B4: 8.38724  Sterimol/L: 19.4799 
 
 Surface and Volume Properties
  Accessible surface: 643.119  Positive charged surface: 391.953  Negative charged surface: 251.167  Volume: 340.75
  Hydrophobic surface: 484.96  Hydrophilic surface: 158.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00559343
CHEMBLOCK-ZINC04580871