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


ENAMINE-ZINC03416148

 MMsINC code: MMs01428954
Type: Neutral
Formula: C25H24FNO6S
SMILES:   S(Oc1ccccc1C(OCC(=O)NC(C)c1ccc(F)cc1)=O)(=O)(=O)c1cc(ccc1C)C
InChI:   InChI=1/C25H24FNO6S/c1-16-8-9-17(2)23(14-16)34(30,31)33-22-7-5-4-6-21(22)25(29)32-15-24(28)27-18(3)19-10-12-20(26)13-11-19/h4-14,18H,15H2,1-3H3,(H,27,28)/t18-/m1/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)=125.485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.532 g/mol  logS: -7.06099  SlogP: 4.33994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515733  Sterimol/B1: 2.16987  Sterimol/B2: 5.06459  Sterimol/B3: 5.36071
  Sterimol/B4: 6.06518  Sterimol/L: 21.8205 
 
 Surface and Volume Properties
  Accessible surface: 767.083  Positive charged surface: 413.634  Negative charged surface: 353.448  Volume: 434.25
  Hydrophobic surface: 634.335  Hydrophilic surface: 132.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.