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


OAKWOOD-ZINC02526604

MMsINC code: MMs02544330

Type: Neutral
Formula: C10H10N4O2
SMILES:   O=[N+]([O-])c1ncn(n1)Cc1cc(ccc1)C
InChI:   InChI=1/C10H10N4O2/c1-8-3-2-4-9(5-8)6-13-7-11-10(12-13)14(15)16/h2-5,7H,6H2,1H3

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)=89.7555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.216 g/mol  logS: -3.51118  SlogP: 1.80942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192946  Sterimol/B1: 2.68717  Sterimol/B2: 3.19275  Sterimol/B3: 5.24879
  Sterimol/B4: 5.46579  Sterimol/L: 12.6669 
 
 Surface and Volume Properties
  Accessible surface: 429.551  Positive charged surface: 227.073  Negative charged surface: 202.478  Volume: 198.375
  Hydrophobic surface: 285.534  Hydrophilic surface: 144.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.