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


IBS-ZINC01251294

 MMsINC code: MMs01764244
Type: Ionized
Formula: C19H13FNO5-
SMILES:   Fc1ccc(cc1)C1N(C(=O)C(=O)C1C(=O)C)c1cc(ccc1)C(=O)[O-]
InChI:   InChI=1/C19H14FNO5/c1-10(22)15-16(11-5-7-13(20)8-6-11)21(18(24)17(15)23)14-4-2-3-12(9-14)19(25)26/h2-9,15-16H,1H3,(H,25,26)/p-1/t15-,16+/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)=69.3382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.313 g/mol  logS: -4.34909  SlogP: 1.1469  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190568  Sterimol/B1: 2.73075  Sterimol/B2: 4.06179  Sterimol/B3: 5.6922
  Sterimol/B4: 7.01115  Sterimol/L: 14.9069 
 
 Surface and Volume Properties
  Accessible surface: 542.983  Positive charged surface: 237.695  Negative charged surface: 305.288  Volume: 309.75
  Hydrophobic surface: 352.93  Hydrophilic surface: 190.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:  
   
Parent related molecule:


MMs01764243
IBS-ZINC01251294