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


ENAMINE-ZINC01931456

 MMsINC code: MMs01245989
Type: Neutral
Formula: C24H24N2O5
SMILES:   O(C)c1ccccc1NC(=O)c1ccc(OC(C(=O)Nc2ccccc2OC)C)cc1
InChI:   InChI=1/C24H24N2O5/c1-16(23(27)25-19-8-4-6-10-21(19)29-2)31-18-14-12-17(13-15-18)24(28)26-20-9-5-7-11-22(20)30-3/h4-16H,1-3H3,(H,25,27)(H,26,28)/t16-/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)=163.714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.82965  SlogP: 4.3621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294582  Sterimol/B1: 2.16139  Sterimol/B2: 5.24596  Sterimol/B3: 5.71391
  Sterimol/B4: 5.72737  Sterimol/L: 22.3474 
 
 Surface and Volume Properties
  Accessible surface: 733.037  Positive charged surface: 480.369  Negative charged surface: 252.668  Volume: 400.75
  Hydrophobic surface: 632.993  Hydrophilic surface: 100.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.