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


IFLAB-ZINC04032815

 MMsINC code: MMs02007954
Type: Neutral
Formula: C23H26N2O5
SMILES:   O(CC)c1ccc(cc1)CC(=O)NCCC1=Cc2c(NC1=O)c(OC)ccc2OC
InChI:   InChI=1/C23H26N2O5/c1-4-30-17-7-5-15(6-8-17)13-21(26)24-12-11-16-14-18-19(28-2)9-10-20(29-3)22(18)25-23(16)27/h5-10,14H,4,11-13H2,1-3H3,(H,24,26)(H,25,27)

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)=100.943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.47 g/mol  logS: -4.58699  SlogP: 3.18697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073906  Sterimol/B1: 2.62147  Sterimol/B2: 4.54432  Sterimol/B3: 6.32633
  Sterimol/B4: 6.54419  Sterimol/L: 22.0436 
 
 Surface and Volume Properties
  Accessible surface: 739.454  Positive charged surface: 547.89  Negative charged surface: 191.564  Volume: 398
  Hydrophobic surface: 597.865  Hydrophilic surface: 141.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.