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


ENAMINE-ZINC03367372

 MMsINC code: MMs01399427
Type: Neutral
Formula: C26H24FNO7S
SMILES:   S(=O)(=O)(NC(C(C)C)C(Oc1ccc(cc1)C(=O)c1ccc(F)cc1)=O)c1cc2OCC
Oc2cc1
InChI:   InChI=1/C26H24FNO7S/c1-16(2)24(28-36(31,32)21-11-12-22-23(15-21)34-14-13-33-22)26(30)35-20-9-5-18(6-10-20)25(29)17-3-7-19(27)8-4-17/h3-12,15-16,24,28H,13-14H2,1-2H3/t24-/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)=131.587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 513.542 g/mol  logS: -6.7115  SlogP: 3.7364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116467  Sterimol/B1: 2.4957  Sterimol/B2: 3.43382  Sterimol/B3: 6.15182
  Sterimol/B4: 10.8019  Sterimol/L: 17.2725 
 
 Surface and Volume Properties
  Accessible surface: 748.503  Positive charged surface: 417.718  Negative charged surface: 330.785  Volume: 446.25
  Hydrophobic surface: 572.925  Hydrophilic surface: 175.578
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.