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


ENAMINE-ZINC03311496

 MMsINC code: MMs01364170
Type: Neutral
Formula: C19H22N2O5S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(cc1)C(OCC(=O)N(Cc1ccccc1)C)=O
InChI:   InChI=1/C19H22N2O5S/c1-20(2)27(24,25)17-11-9-16(10-12-17)19(23)26-14-18(22)21(3)13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3

Download   format file 
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)=68.3071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.46 g/mol  logS: -3.51465  SlogP: 2.0187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453383  Sterimol/B1: 2.96153  Sterimol/B2: 3.83555  Sterimol/B3: 3.85907
  Sterimol/B4: 7.2172  Sterimol/L: 19.0549 
 
 Surface and Volume Properties
  Accessible surface: 661.981  Positive charged surface: 426.52  Negative charged surface: 235.461  Volume: 360.625
  Hydrophobic surface: 533.441  Hydrophilic surface: 128.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.