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


CHEMDIV-ZINC02929451

MMsINC code: MMs00893401

Type: Neutral
Formula: C23H24N2O2
SMILES:   O=C(C)c1cc(n(CC(=O)Nc2cc(cc(c2)C)C)c1C)-c1ccccc1
InChI:   InChI=1/C23H24N2O2/c1-15-10-16(2)12-20(11-15)24-23(27)14-25-17(3)21(18(4)26)13-22(25)19-8-6-5-7-9-19/h5-13H,14H2,1-4H3,(H,24,27)

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)=109.957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.457 g/mol  logS: -5.68722  SlogP: 5.18806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147082  Sterimol/B1: 3.2194  Sterimol/B2: 4.30245  Sterimol/B3: 5.83071
  Sterimol/B4: 8.36987  Sterimol/L: 16.4501 
 
 Surface and Volume Properties
  Accessible surface: 648.961  Positive charged surface: 382.732  Negative charged surface: 266.229  Volume: 368
  Hydrophobic surface: 577.982  Hydrophilic surface: 70.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.