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


ASINEX-ZINC04697582

 MMsINC code: MMs00361046
Type: Neutral
Formula: C25H20N2O2
SMILES:   O=C1N(C(=O)C2C1C(C=CC2c1ccccc1)c1ccccc1)c1ncccc1
InChI:   InChI=1/C25H20N2O2/c28-24-22-19(17-9-3-1-4-10-17)14-15-20(18-11-5-2-6-12-18)23(22)25(29)27(24)21-13-7-8-16-26-21/h1-16,19-20,22-23H/t19-,20-,22-,23-/m1/s1

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)=89.1862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.447 g/mol  logS: -4.64573  SlogP: 4.3246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117803  Sterimol/B1: 2.87754  Sterimol/B2: 3.46882  Sterimol/B3: 4.41739
  Sterimol/B4: 10.8304  Sterimol/L: 15.9579 
 
 Surface and Volume Properties
  Accessible surface: 629.446  Positive charged surface: 377.415  Negative charged surface: 252.031  Volume: 369
  Hydrophobic surface: 554.041  Hydrophilic surface: 75.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.