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


ASINEX-ZINC02057225

 MMsINC code: MMs00261592
Type: Neutral
Formula: C26H15NO2
SMILES:   Oc1cc(ccc1)-c1nc2c(c-3c1C(=O)c1c-3cccc1)c1c(cc2)cccc1
InChI:   InChI=1/C26H15NO2/c28-17-8-5-7-16(14-17)25-24-23(19-10-3-4-11-20(19)26(24)29)22-18-9-2-1-6-15(18)12-13-21(22)27-25/h1-14,28H

Download   format file 
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)=158.568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.411 g/mol  logS: -8.73822  SlogP: 5.972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314322  Sterimol/B1: 2.8944  Sterimol/B2: 3.1974  Sterimol/B3: 4.16352
  Sterimol/B4: 8.79836  Sterimol/L: 16.1817 
 
 Surface and Volume Properties
  Accessible surface: 593.554  Positive charged surface: 310.308  Negative charged surface: 256.813  Volume: 351.625
  Hydrophobic surface: 497.289  Hydrophilic surface: 96.265
 
 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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.