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


CHEMBRIDGE-ZINC00549703

 MMsINC code: MMs00631934
Type: Neutral
Formula: C16H14N2O4
SMILES:   OC(=O)c1ccccc1C(=O)NNC(=O)Cc1ccccc1
InChI:   InChI=1/C16H14N2O4/c19-14(10-11-6-2-1-3-7-11)17-18-15(20)12-8-4-5-9-13(12)16(21)22/h1-9H,10H2,(H,17,19)(H,18,20)(H,21,22)

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)=86.5151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.298 g/mol  logS: -3.61427  SlogP: 1.38847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.053804  Sterimol/B1: 2.88457  Sterimol/B2: 4.31261  Sterimol/B3: 4.53576
  Sterimol/B4: 5.51  Sterimol/L: 16.4784 
 
 Surface and Volume Properties
  Accessible surface: 546.475  Positive charged surface: 312.243  Negative charged surface: 234.233  Volume: 274.875
  Hydrophobic surface: 376.537  Hydrophilic surface: 169.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00631935
CHEMBRIDGE-ZINC00549703