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


PUBCHEM-ZINC02990430

 MMsINC code: MMs02975997
Type: Neutral
Formula: C23H20N2O4
SMILES:   OC(=O)CCNC(=O)/C(/NC(=O)c1ccccc1)=C/c1c2c(ccc1)cccc2
InChI:   InChI=1/C23H20N2O4/c26-21(27)13-14-24-23(29)20(25-22(28)17-8-2-1-3-9-17)15-18-11-6-10-16-7-4-5-12-19(16)18/h1-12,15H,13-14H2,(H,24,29)(H,25,28)(H,26,27)/b20-15+

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)=108.821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.423 g/mol  logS: -5.79849  SlogP: 3.2016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0852137  Sterimol/B1: 3.29531  Sterimol/B2: 4.65501  Sterimol/B3: 4.95618
  Sterimol/B4: 8.48686  Sterimol/L: 17.1824 
 
 Surface and Volume Properties
  Accessible surface: 652.333  Positive charged surface: 361.449  Negative charged surface: 281.737  Volume: 367.5
  Hydrophobic surface: 493.288  Hydrophilic surface: 159.045
 
 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


MMs02975998
PUBCHEM-ZINC02990430