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


PUBCHEM-ZINC02983144

 MMsINC code: MMs02974228
Type: Neutral
Formula: C20H19FN2O4
SMILES:   Fc1ccc(cc1)\C=C(/NC(=O)C)\C(=O)NC(Cc1ccccc1)C(O)=O
InChI:   InChI=1/C20H19FN2O4/c1-13(24)22-17(11-15-7-9-16(21)10-8-15)19(25)23-18(20(26)27)12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3,(H,22,24)(H,23,25)(H,26,27)/b17-11+/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)=113.704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.38 g/mol  logS: -4.4025  SlogP: 2.11477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130563  Sterimol/B1: 3.70329  Sterimol/B2: 3.99871  Sterimol/B3: 4.24956
  Sterimol/B4: 7.0288  Sterimol/L: 14.1233 
 
 Surface and Volume Properties
  Accessible surface: 540.073  Positive charged surface: 329.812  Negative charged surface: 210.262  Volume: 334.25
  Hydrophobic surface: 407.523  Hydrophilic surface: 132.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02974229
PUBCHEM-ZINC02983144