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


ASINEX-ZINC00261569

 MMsINC code: MMs00101953
Type: Tautomer
Formula: C15H15N3O3
SMILES:   O(C)c1ccc(cc1O)\C=N/NC(=O)c1ccc(nc1)C
InChI:   InChI=1/C15H15N3O3/c1-10-3-5-12(9-16-10)15(20)18-17-8-11-4-6-14(21-2)13(19)7-11/h3-9,19H,1-2H3,(H,18,20)/b17-8-

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)=135.123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.303 g/mol  logS: -2.28183  SlogP: 1.86812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0307392  Sterimol/B1: 2.34475  Sterimol/B2: 3.59946  Sterimol/B3: 3.67219
  Sterimol/B4: 7.33216  Sterimol/L: 15.171 
 
 Surface and Volume Properties
  Accessible surface: 522.982  Positive charged surface: 350.614  Negative charged surface: 172.368  Volume: 266.375
  Hydrophobic surface: 368.752  Hydrophilic surface: 154.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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:  
   
Parent related molecule:


MMs00101952
ASINEX-ZINC00261569