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


PUBCHEM-ZINC05434531

 MMsINC code: MMs03269021
Type: Neutral
Formula: C19H28N2O4S
SMILES:   S(CCC(NC=O)C(=O)NC(Cc1ccccc1)C(OC(C)(C)C)=O)C
InChI:   InChI=1/C19H28N2O4S/c1-19(2,3)25-18(24)16(12-14-8-6-5-7-9-14)21-17(23)15(20-13-22)10-11-26-4/h5-9,13,15-16H,10-12H2,1-4H3,(H,20,22)(H,21,23)/t15-,16+/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)=103.114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.509 g/mol  logS: -4.24478  SlogP: 1.92327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965609  Sterimol/B1: 1.99982  Sterimol/B2: 4.13465  Sterimol/B3: 6.10207
  Sterimol/B4: 7.73733  Sterimol/L: 17.8866 
 
 Surface and Volume Properties
  Accessible surface: 671.184  Positive charged surface: 433.652  Negative charged surface: 237.533  Volume: 374.625
  Hydrophobic surface: 479.344  Hydrophilic surface: 191.84
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.