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


PUBCHEM-ZINC04531124

 MMsINC code: MMs03129851
Type: Neutral
Formula: C19H25NO8
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC)C(NC(=O)c2ccccc2)C1OC
InChI:   InChI=1/C19H25NO8/c1-11(21)26-10-14-16(27-12(2)22)17(24-3)15(19(25-4)28-14)20-18(23)13-8-6-5-7-9-13/h5-9,14-17,19H,10H2,1-4H3,(H,20,23)/t14-,15-,16-,17+,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)=98.6825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.408 g/mol  logS: -2.81956  SlogP: 0.6661  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0909509  Sterimol/B1: 2.36296  Sterimol/B2: 4.02038  Sterimol/B3: 4.13445
  Sterimol/B4: 9.07063  Sterimol/L: 18.1084 
 
 Surface and Volume Properties
  Accessible surface: 673.567  Positive charged surface: 452.698  Negative charged surface: 220.869  Volume: 363.125
  Hydrophobic surface: 566.307  Hydrophilic surface: 107.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.