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


NCID-ZINC05607274

 MMsINC code: MMs02479957
Type: Neutral
Formula: C23H19FN2O7
SMILES:   FC1=CN(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2)C(=O)NC1=O
InChI:   InChI=1/C23H19FN2O7/c24-16-12-26(23(30)25-20(16)27)19-11-17(33-22(29)15-9-5-2-6-10-15)18(32-19)13-31-21(28)14-7-3-1-4-8-14/h1-10,12,17-19H,11,13H2,(H,25,27,30)/t17-,18+,19+/m0/s1

Download   format file 
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)=85.3344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.41 g/mol  logS: -5.42242  SlogP: 2.6556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108157  Sterimol/B1: 2.81426  Sterimol/B2: 3.30153  Sterimol/B3: 4.51147
  Sterimol/B4: 11.9982  Sterimol/L: 18.0075 
 
 Surface and Volume Properties
  Accessible surface: 737.71  Positive charged surface: 390.176  Negative charged surface: 347.534  Volume: 392.625
  Hydrophobic surface: 554.18  Hydrophilic surface: 183.53
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.