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


NCID-ZINC01856471

 MMsINC code: MMs02372130
Type: Neutral
Formula: C24H20N2O4
SMILES:   o1c2c(nc1-c1cc(O)c(cc1O)-c1oc3c(n1)cc(cc3)CC)cc(cc2)CC
InChI:   InChI=1/C24H20N2O4/c1-3-13-5-7-21-17(9-13)25-23(29-21)15-11-20(28)16(12-19(15)27)24-26-18-10-14(4-2)6-8-22(18)30-24/h5-12,27-28H,3-4H2,1-2H3

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)=90.7748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.434 g/mol  logS: -9.2706  SlogP: 5.83894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00920859  Sterimol/B1: 2.13801  Sterimol/B2: 3.58805  Sterimol/B3: 3.77343
  Sterimol/B4: 5.51259  Sterimol/L: 23.4566 
 
 Surface and Volume Properties
  Accessible surface: 704.787  Positive charged surface: 450.269  Negative charged surface: 254.518  Volume: 376.875
  Hydrophobic surface: 509.625  Hydrophilic surface: 195.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.