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


NCID-ZINC05836220

 MMsINC code: MMs02504671
Type: Neutral
Formula: C23H25NO11
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1N1c2c(cc(cc2)C)
C(=O)C1=O
InChI:   InChI=1/C23H25NO11/c1-10-6-7-16-15(8-10)18(29)22(30)24(16)23-21(34-14(5)28)20(33-13(4)27)19(32-12(3)26)17(35-23)9-31-11(2)25/h6-8,17,19-21,23H,9H2,1-5H3/t17-,19+,20+,21-,23+/m0/s1

Download   format file 
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)=152.289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 491.449 g/mol  logS: -4.24298  SlogP: 0.60742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193782  Sterimol/B1: 4.21027  Sterimol/B2: 4.33789  Sterimol/B3: 5.55471
  Sterimol/B4: 8.62935  Sterimol/L: 15.478 
 
 Surface and Volume Properties
  Accessible surface: 741.034  Positive charged surface: 436.783  Negative charged surface: 304.25  Volume: 425.875
  Hydrophobic surface: 544.352  Hydrophilic surface: 196.682
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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.