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


PUBCHEM-ZINC05713922

 MMsINC code: MMs03356092
Type: Neutral
Formula: C20H30N2O6
SMILES:   O(C(C)(C)C)C(=O)CC(NC(OCc1ccccc1)=O)NC(OC(C)(C)C)=O
InChI:   InChI=1/C20H30N2O6/c1-19(2,3)27-16(23)12-15(22-18(25)28-20(4,5)6)21-17(24)26-13-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,21,24)(H,22,25)/t15-/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)=23.1231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.468 g/mol  logS: -3.9913  SlogP: 3.7618  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0543361  Sterimol/B1: 2.56047  Sterimol/B2: 4.25482  Sterimol/B3: 4.81311
  Sterimol/B4: 8.6242  Sterimol/L: 18.9478 
 
 Surface and Volume Properties
  Accessible surface: 728.186  Positive charged surface: 483.169  Negative charged surface: 245.017  Volume: 389.5
  Hydrophobic surface: 519.485  Hydrophilic surface: 208.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.