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


NCID-ZINC05030466

 MMsINC code: MMs02430574
Type: Neutral
Formula: C15H14N2O2
SMILES:   O(C)c1ccccc1\C=N/N=C/c1ccccc1O
InChI:   InChI=1/C15H14N2O2/c1-19-15-9-5-3-7-13(15)11-17-16-10-12-6-2-4-8-14(12)18/h2-11,18H,1H3/b16-10+,17-11-

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)=122.836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.289 g/mol  logS: -3.18133  SlogP: 2.8538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0420804  Sterimol/B1: 2.81143  Sterimol/B2: 3.59515  Sterimol/B3: 3.67768
  Sterimol/B4: 5.13891  Sterimol/L: 15.2434 
 
 Surface and Volume Properties
  Accessible surface: 475.505  Positive charged surface: 331.491  Negative charged surface: 144.015  Volume: 251.375
  Hydrophobic surface: 386.029  Hydrophilic surface: 89.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.