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


CHEMDIV-ZINC06811086

 MMsINC code: MMs01038770
Type: Neutral
Formula: C22H26FNO4S
SMILES:   S1(=O)(=O)CC(N(Cc2ccccc2F)C(=O)C(Oc2ccc(cc2)CC)C)CC1
InChI:   InChI=1/C22H26FNO4S/c1-3-17-8-10-20(11-9-17)28-16(2)22(25)24(19-12-13-29(26,27)15-19)14-18-6-4-5-7-21(18)23/h4-11,16,19H,3,12-15H2,1-2H3/t16-,19+/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)=252.722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.517 g/mol  logS: -5.34285  SlogP: 3.63767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162312  Sterimol/B1: 4.22562  Sterimol/B2: 5.51681  Sterimol/B3: 5.70285
  Sterimol/B4: 6.81155  Sterimol/L: 14.6054 
 
 Surface and Volume Properties
  Accessible surface: 642.763  Positive charged surface: 361.589  Negative charged surface: 281.174  Volume: 378.25
  Hydrophobic surface: 514.798  Hydrophilic surface: 127.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.