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


CHEMBRIDGE-ZINC00997556

 MMsINC code: MMs00651221
Type: Neutral
Formula: C26H24N2O2
SMILES:   O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C26H24N2O2/c1-3-30-21-15-13-20(14-16-21)25-17-23(22-11-7-8-12-24(22)28-25)26(29)27-18(2)19-9-5-4-6-10-19/h4-18H,3H2,1-2H3,(H,27,29)/t18-/m1/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)=111.1 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -6.98743  SlogP: 5.887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435061  Sterimol/B1: 3.56596  Sterimol/B2: 3.82332  Sterimol/B3: 5.01394
  Sterimol/B4: 11.0379  Sterimol/L: 16.5744 
 
 Surface and Volume Properties
  Accessible surface: 707.581  Positive charged surface: 404.312  Negative charged surface: 292.198  Volume: 400.125
  Hydrophobic surface: 613.185  Hydrophilic surface: 94.396
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.