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


CHEMBLOCK-ZINC01001043

 MMsINC code: MMs00510178
Type: Neutral
Formula: C24H22N2O3
SMILES:   o1cccc1C(=O)N1CCc2c([nH]c3c2cccc3)C1c1ccc(OCC)cc1
InChI:   InChI=1/C24H22N2O3/c1-2-28-17-11-9-16(10-12-17)23-22-19(18-6-3-4-7-20(18)25-22)13-14-26(23)24(27)21-8-5-15-29-21/h3-12,15,23,25H,2,13-14H2,1H3/t23-/m0/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)=105.655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -5.71667  SlogP: 5.04297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220842  Sterimol/B1: 4.20441  Sterimol/B2: 4.62224  Sterimol/B3: 4.78251
  Sterimol/B4: 9.97672  Sterimol/L: 15.2357 
 
 Surface and Volume Properties
  Accessible surface: 652.618  Positive charged surface: 392.669  Negative charged surface: 254.268  Volume: 375.125
  Hydrophobic surface: 565.407  Hydrophilic surface: 87.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.