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


NCID-ZINC05809309

 MMsINC code: MMs02499168
Type: Neutral
Formula: C23H30O8
SMILES:   O1C(CO)C(O)C(O)C(O)C1OCC(OCc1ccccc1)COCc1ccccc1
InChI:   InChI=1/C23H30O8/c24-11-19-20(25)21(26)22(27)23(31-19)30-15-18(29-13-17-9-5-2-6-10-17)14-28-12-16-7-3-1-4-8-16/h1-10,18-27H,11-15H2/t18-,19-,20+,21+,22-,23+/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)=132.405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.485 g/mol  logS: -2.91631  SlogP: 1.1379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0827927  Sterimol/B1: 2.58537  Sterimol/B2: 4.84027  Sterimol/B3: 4.98507
  Sterimol/B4: 9.81033  Sterimol/L: 17.6971 
 
 Surface and Volume Properties
  Accessible surface: 743.64  Positive charged surface: 503.734  Negative charged surface: 239.906  Volume: 415.5
  Hydrophobic surface: 565.082  Hydrophilic surface: 178.558
 
 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.