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


CHEMSTAR-ZINC03163230

 MMsINC code: MMs01085129
Type: Neutral
Formula: C5H6FN3O
SMILES:   Fc1nc(OC)nc(N)c1
InChI:   InChI=1/C5H6FN3O/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)

Download   format file 
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)=-15.3989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.121 g/mol  logS: -1.57824  SlogP: 0.2065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0176835  Sterimol/B1: 2.375  Sterimol/B2: 2.3751  Sterimol/B3: 3.00814
  Sterimol/B4: 4.84273  Sterimol/L: 10.3605 
 
 Surface and Volume Properties
  Accessible surface: 303.77  Positive charged surface: 206.632  Negative charged surface: 97.1379  Volume: 120.25
  Hydrophobic surface: 162.622  Hydrophilic surface: 141.148
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.