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


ENAMINE-ZINC03342110

 MMsINC code: MMs01383727
Type: Neutral
Formula: C23H26F3NO6S
SMILES:   S(=O)(=O)(NC(CC(C)C)C(OCc1cc(ccc1OC)C(=O)C)=O)c1cc(ccc1)C(F)
(F)F
InChI:   InChI=1/C23H26F3NO6S/c1-14(2)10-20(27-34(30,31)19-7-5-6-18(12-19)23(24,25)26)22(29)33-13-17-11-16(15(3)28)8-9-21(17)32-4/h5-9,11-12,14,20,27H,10,13H2,1-4H3/t20-/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)=90.2917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 501.522 g/mol  logS: -6.37755  SlogP: 4.9309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17053  Sterimol/B1: 4.68171  Sterimol/B2: 5.05  Sterimol/B3: 6.80443
  Sterimol/B4: 7.00921  Sterimol/L: 17.1562 
 
 Surface and Volume Properties
  Accessible surface: 741.99  Positive charged surface: 404.856  Negative charged surface: 337.134  Volume: 430.75
  Hydrophobic surface: 477.195  Hydrophilic surface: 264.795
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.