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


PUBCHEM-ZINC06603443

 MMsINC code: MMs03816984
Type: Neutral
Formula: C24H20N4O6
SMILES:   O(C)c1c(OC)cc(N2C(=O)\C(=C\c3cnc(nc3)-c3ccccc3)\C(=O)NC2=O)c
c1OC
InChI:   InChI=1/C24H20N4O6/c1-32-18-10-16(11-19(33-2)20(18)34-3)28-23(30)17(22(29)27-24(28)31)9-14-12-25-21(26-13-14)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,27,29,31)/b17-9-

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)=140.658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.446 g/mol  logS: -6.26863  SlogP: 2.8358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180111  Sterimol/B1: 2.29619  Sterimol/B2: 5.16641  Sterimol/B3: 8.09033
  Sterimol/B4: 8.97134  Sterimol/L: 16.8054 
 
 Surface and Volume Properties
  Accessible surface: 738.906  Positive charged surface: 526.535  Negative charged surface: 207.144  Volume: 411.375
  Hydrophobic surface: 576.637  Hydrophilic surface: 162.269
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 8  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: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.