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


PUBCHEM-ZINC06196215

 MMsINC code: MMs03600810
Type: Neutral
Formula: C23H25NO6
SMILES:   O(CC)c1ccc(cc1)C(=O)C1C(N(CCOC)C(=O)C1=O)c1cc(OC)ccc1
InChI:   InChI=1/C23H25NO6/c1-4-30-17-10-8-15(9-11-17)21(25)19-20(16-6-5-7-18(14-16)29-3)24(12-13-28-2)23(27)22(19)26/h5-11,14,19-20H,4,12-13H2,1-3H3/t19-,20+/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)=103.928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.454 g/mol  logS: -4.33155  SlogP: 2.7873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102153  Sterimol/B1: 3.89561  Sterimol/B2: 4.32595  Sterimol/B3: 7.18242
  Sterimol/B4: 7.53774  Sterimol/L: 17.1931 
 
 Surface and Volume Properties
  Accessible surface: 709.836  Positive charged surface: 487.863  Negative charged surface: 221.973  Volume: 394.5
  Hydrophobic surface: 579.176  Hydrophilic surface: 130.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.