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


CHEMSTAR-ZINC02258068

 MMsINC code: MMs01080671
Type: Neutral
Formula: C24H20FNO4
SMILES:   Fc1ccc(cc1)C(=O)COC(=O)CCC(=O)N(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H20FNO4/c25-19-13-11-18(12-14-19)22(27)17-30-24(29)16-15-23(28)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14H,15-17H2

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)=123.747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.425 g/mol  logS: -5.87108  SlogP: 4.6967  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0329596  Sterimol/B1: 2.56522  Sterimol/B2: 3.43043  Sterimol/B3: 3.90321
  Sterimol/B4: 8.43228  Sterimol/L: 21.2003 
 
 Surface and Volume Properties
  Accessible surface: 698.046  Positive charged surface: 377.653  Negative charged surface: 320.393  Volume: 381.75
  Hydrophobic surface: 598.115  Hydrophilic surface: 99.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.