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


IFLAB-ZINC04105497

 MMsINC code: MMs02016111
Type: Neutral
Formula: C24H24N2O4
SMILES:   o1cccc1CNC(=O)COc1c2c(ccc1)C(=O)N(CC2)Cc1ccccc1C
InChI:   InChI=1/C24H24N2O4/c1-17-6-2-3-7-18(17)15-26-12-11-20-21(24(26)28)9-4-10-22(20)30-16-23(27)25-14-19-8-5-13-29-19/h2-10,13H,11-12,14-16H2,1H3,(H,25,27)

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)=93.2855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.59313  SlogP: 4.01449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.049298  Sterimol/B1: 2.16028  Sterimol/B2: 2.72348  Sterimol/B3: 6.31081
  Sterimol/B4: 6.88681  Sterimol/L: 22.2585 
 
 Surface and Volume Properties
  Accessible surface: 706.5  Positive charged surface: 424.617  Negative charged surface: 281.883  Volume: 392.75
  Hydrophobic surface: 602.662  Hydrophilic surface: 103.838
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.