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


ASINEX-ZINC04279292

 MMsINC code: MMs00322531
Type: Neutral
Formula: C18H25NO6
SMILES:   O1C2C(OC(OC2)(C)C)C(O)C(NC(=O)C)C1OCc1ccccc1
InChI:   InChI=1/C18H25NO6/c1-11(20)19-14-15(21)16-13(10-23-18(2,3)25-16)24-17(14)22-9-12-7-5-4-6-8-12/h4-8,13-17,21H,9-10H2,1-3H3,(H,19,20)/t13-,14-,15+,16+,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)=91.5586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.399 g/mol  logS: -2.79518  SlogP: 1.2116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107508  Sterimol/B1: 2.19941  Sterimol/B2: 3.48554  Sterimol/B3: 3.81261
  Sterimol/B4: 10.3394  Sterimol/L: 15.4028 
 
 Surface and Volume Properties
  Accessible surface: 596.552  Positive charged surface: 400.809  Negative charged surface: 195.743  Volume: 330.25
  Hydrophobic surface: 463.586  Hydrophilic surface: 132.966
 
 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.