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


ASINEX-ZINC00824850

 MMsINC code: MMs00182479
Type: Neutral
Formula: C23H24N2O2
SMILES:   OC(C(=O)NN(C)c1ccccc1)(c1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C23H24N2O2/c1-17-9-13-19(14-10-17)23(27,20-15-11-18(2)12-16-20)22(26)24-25(3)21-7-5-4-6-8-21/h4-16,27H,1-3H3,(H,24,26)

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)=145.741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.457 g/mol  logS: -5.64094  SlogP: 4.01844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141497  Sterimol/B1: 2.74205  Sterimol/B2: 3.58875  Sterimol/B3: 5.50292
  Sterimol/B4: 9.2266  Sterimol/L: 16.3032 
 
 Surface and Volume Properties
  Accessible surface: 637.994  Positive charged surface: 396.828  Negative charged surface: 241.166  Volume: 367.75
  Hydrophobic surface: 590.9  Hydrophilic surface: 47.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.