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


ASINEX-ZINC01331520

 MMsINC code: MMs00237669
Type: Neutral
Formula: C25H23N3O2
SMILES:   O=C1N(Cc2ccccc2)C(=Nc2c1cc(NC(=O)CCc1ccccc1)cc2)C
InChI:   InChI=1/C25H23N3O2/c1-18-26-23-14-13-21(27-24(29)15-12-19-8-4-2-5-9-19)16-22(23)25(30)28(18)17-20-10-6-3-7-11-20/h2-11,13-14,16H,12,15,17H2,1H3,(H,27,29)

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)=86.0057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.478 g/mol  logS: -5.7741  SlogP: 5.23017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.036546  Sterimol/B1: 2.46058  Sterimol/B2: 3.70786  Sterimol/B3: 3.85902
  Sterimol/B4: 8.11921  Sterimol/L: 21.5083 
 
 Surface and Volume Properties
  Accessible surface: 701.525  Positive charged surface: 412.867  Negative charged surface: 288.658  Volume: 395.25
  Hydrophobic surface: 610.166  Hydrophilic surface: 91.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.