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


PUBCHEM-ZINC05710795

 MMsINC code: MMs03355229
Type: Neutral
Formula: C25H23N3O2
SMILES:   O=C(N\N=C(\C=C\c1ccccc1)/c1ccccc1)c1ccc(NC(=O)CC)cc1
InChI:   InChI=1/C25H23N3O2/c1-2-24(29)26-22-16-14-21(15-17-22)25(30)28-27-23(20-11-7-4-8-12-20)18-13-19-9-5-3-6-10-19/h3-18H,2H2,1H3,(H,26,29)(H,28,30)/b18-13+,27-23-

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)=144.87 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.478 g/mol  logS: -6.52189  SlogP: 4.8826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0201713  Sterimol/B1: 2.49553  Sterimol/B2: 4.76659  Sterimol/B3: 5.88441
  Sterimol/B4: 6.00004  Sterimol/L: 22.4304 
 
 Surface and Volume Properties
  Accessible surface: 723.942  Positive charged surface: 405.787  Negative charged surface: 318.155  Volume: 398.125
  Hydrophobic surface: 601.854  Hydrophilic surface: 122.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.