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


ASINEX-ZINC04275858

 MMsINC code: MMs00322434
Type: Neutral
Formula: C17H23NO6
SMILES:   O1C2C(OC(OC2)(C)C)C(O)C(NC(=O)C)C1Oc1ccccc1
InChI:   InChI=1/C17H23NO6/c1-10(19)18-13-14(20)15-12(9-21-17(2,3)24-15)23-16(13)22-11-7-5-4-6-8-11/h4-8,12-16,20H,9H2,1-3H3,(H,18,19)/t12-,13-,14-,15+,16+/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)=95.2744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.372 g/mol  logS: -2.72936  SlogP: 0.8074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165617  Sterimol/B1: 2.18929  Sterimol/B2: 3.45916  Sterimol/B3: 4.11628
  Sterimol/B4: 9.82461  Sterimol/L: 13.281 
 
 Surface and Volume Properties
  Accessible surface: 575.085  Positive charged surface: 379.586  Negative charged surface: 195.498  Volume: 314.25
  Hydrophobic surface: 442.12  Hydrophilic surface: 132.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.