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


NCID-ZINC05835629

 MMsINC code: MMs02504569
Type: Neutral
Formula: C18H28O8
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC(CCOCc1ccc(OC)cc1)C
InChI:   InChI=1/C18H28O8/c1-11(7-8-24-10-12-3-5-13(23-2)6-4-12)25-18-17(22)16(21)15(20)14(9-19)26-18/h3-6,11,14-22H,7-10H2,1-2H3/t11-,14-,15+,16+,17-,18-/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)=103.213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.414 g/mol  logS: -1.58513  SlogP: 0.0733  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919804  Sterimol/B1: 2.22902  Sterimol/B2: 2.86146  Sterimol/B3: 5.8439
  Sterimol/B4: 8.03542  Sterimol/L: 19.2914 
 
 Surface and Volume Properties
  Accessible surface: 671.617  Positive charged surface: 510.467  Negative charged surface: 161.15  Volume: 352.875
  Hydrophobic surface: 466.959  Hydrophilic surface: 204.658
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.