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


CHEMBRIDGE-ZINC02826571

MMsINC code: MMs00721264

Type: Neutral
Formula: C23H25NO5
SMILES:   O(C(=O)c1cc2c(cc1)C(=O)N(CCCOC)C2=O)c1cc(ccc1C(C)C)C
InChI:   InChI=1/C23H25NO5/c1-14(2)17-8-6-15(3)12-20(17)29-23(27)16-7-9-18-19(13-16)22(26)24(21(18)25)10-5-11-28-4/h6-9,12-14H,5,10-11H2,1-4H3

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)=83.2229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.455 g/mol  logS: -6.05803  SlogP: 3.97012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0446694  Sterimol/B1: 2.22995  Sterimol/B2: 3.76345  Sterimol/B3: 4.64323
  Sterimol/B4: 8.75091  Sterimol/L: 20.9526 
 
 Surface and Volume Properties
  Accessible surface: 704.496  Positive charged surface: 469.972  Negative charged surface: 234.524  Volume: 387.875
  Hydrophobic surface: 560.847  Hydrophilic surface: 143.649
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.