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


ASINEX-ZINC00809529

 MMsINC code: MMs00174574
Type: Neutral
Formula: C20H13N3O4
SMILES:   o1c2cccnc2nc1-c1cc(NC(=O)c2cc3OCOc3cc2)ccc1
InChI:   InChI=1/C20H13N3O4/c24-19(12-6-7-15-17(10-12)26-11-25-15)22-14-4-1-3-13(9-14)20-23-18-16(27-20)5-2-8-21-18/h1-10H,11H2,(H,22,24)

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)=101.819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.341 g/mol  logS: -7.07712  SlogP: 3.8708  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0117031  Sterimol/B1: 2.51869  Sterimol/B2: 2.53149  Sterimol/B3: 3.08291
  Sterimol/B4: 9.52157  Sterimol/L: 18.5979 
 
 Surface and Volume Properties
  Accessible surface: 603.099  Positive charged surface: 366.632  Negative charged surface: 236.467  Volume: 319.125
  Hydrophobic surface: 448.957  Hydrophilic surface: 154.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.