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


PUBCHEM-ZINC02883674

 MMsINC code: MMs02953330
Type: Neutral
Formula: C23H28N2O6S
SMILES:   S(=O)(=O)(NC1CCCCC1)c1cc(C)c(OCC(=O)NCc2cc3OCOc3cc2)cc1
InChI:   InChI=1/C23H28N2O6S/c1-16-11-19(32(27,28)25-18-5-3-2-4-6-18)8-10-20(16)29-14-23(26)24-13-17-7-9-21-22(12-17)31-15-30-21/h7-12,18,25H,2-6,13-15H2,1H3,(H,24,26)

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)=60.2139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.551 g/mol  logS: -4.80042  SlogP: 3.29632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534433  Sterimol/B1: 2.27849  Sterimol/B2: 3.30082  Sterimol/B3: 5.53296
  Sterimol/B4: 10.1103  Sterimol/L: 20.8201 
 
 Surface and Volume Properties
  Accessible surface: 762.165  Positive charged surface: 508.421  Negative charged surface: 253.744  Volume: 420.125
  Hydrophobic surface: 573.424  Hydrophilic surface: 188.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.