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


NCID-ZINC01652513

 MMsINC code: MMs02291725
Type: Neutral
Formula: C25H23N3O4
SMILES:   OC(=O)c1ccccc1NC(=O)/C(/NC(=O)c1ccccc1)=C/c1ccc(N(C)C)cc1
InChI:   InChI=1/C25H23N3O4/c1-28(2)19-14-12-17(13-15-19)16-22(27-23(29)18-8-4-3-5-9-18)24(30)26-21-11-7-6-10-20(21)25(31)32/h3-16H,1-2H3,(H,26,30)(H,27,29)(H,31,32)/b22-16-

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)=182.676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.476 g/mol  logS: -5.76352  SlogP: 3.8604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0402698  Sterimol/B1: 2.70197  Sterimol/B2: 3.62165  Sterimol/B3: 4.60634
  Sterimol/B4: 8.8262  Sterimol/L: 18.2629 
 
 Surface and Volume Properties
  Accessible surface: 703.83  Positive charged surface: 444.048  Negative charged surface: 259.783  Volume: 410.875
  Hydrophobic surface: 564.038  Hydrophilic surface: 139.792
 
 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


MMs02291726
NCID-ZINC01652513