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


NCID-ZINC04972306

 MMsINC code: MMs02421006
Type: Neutral
Formula: C23H24O11
SMILES:   O1C(C)C(O)C(O)C(O)C1OC1=C(Oc2c(C1=O)c(O)c(OC)c(OC)c2)c1ccc(O
)cc1
InChI:   InChI=1/C23H24O11/c1-9-15(25)18(28)19(29)23(32-9)34-22-17(27)14-12(8-13(30-2)21(31-3)16(14)26)33-20(22)10-4-6-11(24)7-5-10/h4-9,15,18-19,23-26,28-29H,1-3H3/t9-,15+,18-,19-,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)=189.656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.434 g/mol  logS: -3.90356  SlogP: 0.903  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.123533  Sterimol/B1: 2.26339  Sterimol/B2: 2.72453  Sterimol/B3: 6.51529
  Sterimol/B4: 8.46504  Sterimol/L: 16.2417 
 
 Surface and Volume Properties
  Accessible surface: 696.962  Positive charged surface: 509.631  Negative charged surface: 187.331  Volume: 410.625
  Hydrophobic surface: 437.68  Hydrophilic surface: 259.282
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 10  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.