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


CHEMSTAR-ZINC04119539

 MMsINC code: MMs01106513
Type: Neutral
Formula: C26H15ClFNO5
SMILES:   Clc1ccc(cc1)C1OC2(C3C1C(=O)N(C3=O)c1ccc(F)cc1)C(=O)c1c(cccc1
)C2=O
InChI:   InChI=1/C26H15ClFNO5/c27-14-7-5-13(6-8-14)21-19-20(25(33)29(24(19)32)16-11-9-15(28)10-12-16)26(34-21)22(30)17-3-1-2-4-18(17)23(26)31/h1-12,19-21H/t19-,20-,21+/m1/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)=104.931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 475.859 g/mol  logS: -7.17174  SlogP: 4.2697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151744  Sterimol/B1: 2.46508  Sterimol/B2: 3.28495  Sterimol/B3: 5.24612
  Sterimol/B4: 11.0506  Sterimol/L: 15.8697 
 
 Surface and Volume Properties
  Accessible surface: 674.005  Positive charged surface: 289.352  Negative charged surface: 384.653  Volume: 398.5
  Hydrophobic surface: 569.355  Hydrophilic surface: 104.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.