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


IBS-ZINC02433889

 MMsINC code: MMs01862793
Type: Neutral
Formula: C24H26N2O5
SMILES:   O(CC)c1cc(ccc1OCC)\C=C\1/N=C(N(CCOC(=O)C)C/1=O)c1ccccc1
InChI:   InChI=1/C24H26N2O5/c1-4-29-21-12-11-18(16-22(21)30-5-2)15-20-24(28)26(13-14-31-17(3)27)23(25-20)19-9-7-6-8-10-19/h6-12,15-16H,4-5,13-14H2,1-3H3/b20-15-

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)=123.423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.481 g/mol  logS: -5.56592  SlogP: 3.677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0914227  Sterimol/B1: 2.53949  Sterimol/B2: 4.50113  Sterimol/B3: 5.06872
  Sterimol/B4: 9.3008  Sterimol/L: 17.0016 
 
 Surface and Volume Properties
  Accessible surface: 742.446  Positive charged surface: 491.368  Negative charged surface: 251.078  Volume: 410.375
  Hydrophobic surface: 596.897  Hydrophilic surface: 145.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.