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


NCID-ZINC03589054

 MMsINC code: MMs02380560
Type: Neutral
Formula: C24H22O5
SMILES:   O1C2c3c(OCC2(c2cc(O)c(OCc4ccccc4)cc12)C)cc(OC)cc3
InChI:   InChI=1/C24H22O5/c1-24-14-28-20-10-16(26-2)8-9-17(20)23(24)29-21-12-22(19(25)11-18(21)24)27-13-15-6-4-3-5-7-15/h3-12,23,25H,13-14H2,1-2H3/t23-,24-/m1/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)=124.331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.435 g/mol  logS: -5.16929  SlogP: 5.1255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0487685  Sterimol/B1: 2.41759  Sterimol/B2: 2.52239  Sterimol/B3: 4.79878
  Sterimol/B4: 8.06497  Sterimol/L: 20.7415 
 
 Surface and Volume Properties
  Accessible surface: 668.761  Positive charged surface: 443.813  Negative charged surface: 224.948  Volume: 367.625
  Hydrophobic surface: 569.594  Hydrophilic surface: 99.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.