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


ASINEX-ZINC00283057

 MMsINC code: MMs00107813
Type: Neutral
Formula: C20H14N2O4
SMILES:   Oc1c2c3c(cc1)C(=O)N(C(=O)c3ccc2)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C20H14N2O4/c1-11(23)21-12-5-7-13(8-6-12)22-19(25)15-4-2-3-14-17(24)10-9-16(18(14)15)20(22)26/h2-10,24H,1H3,(H,21,23)

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)=113.691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.342 g/mol  logS: -5.48397  SlogP: 3.3044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0296002  Sterimol/B1: 3.15775  Sterimol/B2: 3.60022  Sterimol/B3: 4.39126
  Sterimol/B4: 5.36063  Sterimol/L: 17.7535 
 
 Surface and Volume Properties
  Accessible surface: 569.571  Positive charged surface: 313.521  Negative charged surface: 244.463  Volume: 310.5
  Hydrophobic surface: 413.841  Hydrophilic surface: 155.73
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.