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


OAKWOOD-ZINC02537758

 MMsINC code: MMs02545462
Type: Neutral
Formula: C10H8N2O3
SMILES:   o1nc(nc1CC(O)=O)-c1ccccc1
InChI:   InChI=1/C10H8N2O3/c13-9(14)6-8-11-10(12-15-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)

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)=39.7951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.185 g/mol  logS: -3.2146  SlogP: 1.36367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.041767  Sterimol/B1: 3.06261  Sterimol/B2: 3.15377  Sterimol/B3: 3.49026
  Sterimol/B4: 4.24201  Sterimol/L: 13.8364 
 
 Surface and Volume Properties
  Accessible surface: 406.842  Positive charged surface: 218.642  Negative charged surface: 188.199  Volume: 179.625
  Hydrophobic surface: 259.592  Hydrophilic surface: 147.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02545463
OAKWOOD-ZINC02537758