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


NCID-ZINC05767881

 MMsINC code: MMs02497374
Type: Neutral
Formula: C24H22O10
SMILES:   O(C)c1c2c(c(O)c(c1)CC(C(=O)CC(OC)=O)C(OC)=O)C(=O)c1c(cccc1OC
)C2=O
InChI:   InChI=1/C24H22O10/c1-31-15-7-5-6-12-18(15)23(29)20-19(22(12)28)16(32-2)9-11(21(20)27)8-13(24(30)34-4)14(25)10-17(26)33-3/h5-7,9,13,27H,8,10H2,1-4H3/t13-/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)=173.834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.43 g/mol  logS: -4.44493  SlogP: 1.64867  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0386856  Sterimol/B1: 2.49213  Sterimol/B2: 3.47084  Sterimol/B3: 3.52661
  Sterimol/B4: 10.2858  Sterimol/L: 19.8979 
 
 Surface and Volume Properties
  Accessible surface: 701.615  Positive charged surface: 523.124  Negative charged surface: 178.491  Volume: 407.625
  Hydrophobic surface: 533.018  Hydrophilic surface: 168.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.