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


PUBCHEM-ZINC03010437

 MMsINC code: MMs02979502
Type: Neutral
Formula: C19H28N2O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)CC(C)C)CC
InChI:   InChI=1/C19H28N2O4/c1-5-25-19(24)17(11-13(2)3)21-18(23)16(20-14(4)22)12-15-9-7-6-8-10-15/h6-10,13,16-17H,5,11-12H2,1-4H3,(H,20,22)(H,21,23)/t16-,17-/m1/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)=90.6451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.443 g/mol  logS: -4.06721  SlogP: 1.82777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655528  Sterimol/B1: 2.45361  Sterimol/B2: 2.5966  Sterimol/B3: 5.03234
  Sterimol/B4: 8.0698  Sterimol/L: 16.9119 
 
 Surface and Volume Properties
  Accessible surface: 651.386  Positive charged surface: 431.709  Negative charged surface: 219.677  Volume: 356.25
  Hydrophobic surface: 501.753  Hydrophilic surface: 149.633
 
 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.