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


NCID-ZINC05028663

 MMsINC code: MMs02429708
Type: Neutral
Formula: C26H25NO6
SMILES:   O(Cc1ccccc1)C(=O)C(NC(OCc1ccccc1)=O)CC(OCc1ccccc1)=O
InChI:   InChI=1/C26H25NO6/c28-24(31-17-20-10-4-1-5-11-20)16-23(25(29)32-18-21-12-6-2-7-13-21)27-26(30)33-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)/t23-/m0/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)=67.3134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 447.487 g/mol  logS: -5.84189  SlogP: 4.9575  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0591147  Sterimol/B1: 2.31835  Sterimol/B2: 3.03685  Sterimol/B3: 4.02016
  Sterimol/B4: 14.521  Sterimol/L: 19.632 
 
 Surface and Volume Properties
  Accessible surface: 829.689  Positive charged surface: 475.348  Negative charged surface: 354.341  Volume: 434.875
  Hydrophobic surface: 707.69  Hydrophilic surface: 121.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.