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


CHEMBRIDGE-ZINC01132428

 MMsINC code: MMs00667530
Type: Neutral
Formula: C25H26N2O4
SMILES:   O(C)c1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1NC(=O)C(C)C
InChI:   InChI=1/C25H26N2O4/c1-17(2)24(28)27-22-14-11-20(15-23(22)30-3)26-25(29)19-9-12-21(13-10-19)31-16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H,26,29)(H,27,28)

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)=132.896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.493 g/mol  logS: -5.83652  SlogP: 5.3874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193508  Sterimol/B1: 2.44687  Sterimol/B2: 3.81934  Sterimol/B3: 4.58001
  Sterimol/B4: 6.73057  Sterimol/L: 24.5738 
 
 Surface and Volume Properties
  Accessible surface: 750.75  Positive charged surface: 479.999  Negative charged surface: 270.751  Volume: 413.375
  Hydrophobic surface: 628.978  Hydrophilic surface: 121.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.