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


CHEMBRIDGE-ZINC01220373

 MMsINC code: MMs00690197
Type: Tautomer
Formula: C19H14FNO5
SMILES:   Fc1ccc(cc1)C\1N(C(=O)C(=O)/C/1=C(/O)\C)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C19H14FNO5/c1-10(22)15-16(11-2-6-13(20)7-3-11)21(18(24)17(15)23)14-8-4-12(5-9-14)19(25)26/h2-9,16,22H,1H3,(H,25,26)/b15-10-/t16-/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)=98.8183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.321 g/mol  logS: -4.1903  SlogP: 3.1084  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.141577  Sterimol/B1: 2.54302  Sterimol/B2: 5.41431  Sterimol/B3: 5.6713
  Sterimol/B4: 6.11797  Sterimol/L: 14.4864 
 
 Surface and Volume Properties
  Accessible surface: 543.158  Positive charged surface: 266.822  Negative charged surface: 276.336  Volume: 306.25
  Hydrophobic surface: 337.341  Hydrophilic surface: 205.817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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:  
   
Parent related molecule:


MMs00690195
CHEMBRIDGE-ZINC01220373