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


NCID-ZINC05724129

 MMsINC code: MMs02490919
Type: Neutral
Formula: C19H16N2O5
SMILES:   O1C(=NC(\C=N\C(Cc2ccc(O)cc2)C(O)=O)C1=O)c1ccccc1
InChI:   InChI=1/C19H16N2O5/c22-14-8-6-12(7-9-14)10-15(18(23)24)20-11-16-19(25)26-17(21-16)13-4-2-1-3-5-13/h1-9,11,15-16,22H,10H2,(H,23,24)/b20-11+/t15-,16-/m0/s1

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)=90.2864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.346 g/mol  logS: -4.30832  SlogP: 1.83087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149051  Sterimol/B1: 3.02753  Sterimol/B2: 4.40929  Sterimol/B3: 7.0261
  Sterimol/B4: 7.20615  Sterimol/L: 16.2299 
 
 Surface and Volume Properties
  Accessible surface: 602.066  Positive charged surface: 343.327  Negative charged surface: 258.739  Volume: 322.375
  Hydrophobic surface: 384.609  Hydrophilic surface: 217.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02490920
NCID-ZINC05724129