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


ENAMINE-ZINC03303271

 MMsINC code: MMs01359711
Type: Neutral
Formula: C23H17Cl2F3N2O6S
SMILES:   Clc1cc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)cc1C(OCC(=O)Nc1ccc(F)c(F
)c1F)=O
InChI:   InChI=1/C23H17Cl2F3N2O6S/c1-2-35-13-5-3-12(4-6-13)30-37(33,34)19-9-14(15(24)10-16(19)25)23(32)36-11-20(31)29-18-8-7-17(26)21(27)22(18)28/h3-10,30H,2,11H2,1H3,(H,29,31)

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)=105.387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 577.363 g/mol  logS: -8.15599  SlogP: 5.4057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155211  Sterimol/B1: 2.21254  Sterimol/B2: 3.76087  Sterimol/B3: 6.47634
  Sterimol/B4: 11.8511  Sterimol/L: 17.2208 
 
 Surface and Volume Properties
  Accessible surface: 805.09  Positive charged surface: 380.94  Negative charged surface: 424.151  Volume: 444.25
  Hydrophobic surface: 627.541  Hydrophilic surface: 177.549
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.