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


PUBCHEM-ZINC03652326

 MMsINC code: MMs03034438
Type: Neutral
Formula: C20H24N2O3
SMILES:   OCC(NC(=O)C(NC(=O)C)Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C20H24N2O3/c1-15(24)21-19(13-17-10-6-3-7-11-17)20(25)22-18(14-23)12-16-8-4-2-5-9-16/h2-11,18-19,23H,12-14H2,1H3,(H,21,24)(H,22,25)/t18-,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)=92.9694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.423 g/mol  logS: -3.39924  SlogP: 1.45354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241868  Sterimol/B1: 2.34553  Sterimol/B2: 2.54702  Sterimol/B3: 7.43208
  Sterimol/B4: 8.10577  Sterimol/L: 14.9915 
 
 Surface and Volume Properties
  Accessible surface: 616.895  Positive charged surface: 383.412  Negative charged surface: 233.482  Volume: 341.5
  Hydrophobic surface: 519.212  Hydrophilic surface: 97.683
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.