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


ASINEX-ZINC05042849

 MMsINC code: MMs00439592
Type: Neutral
Formula: C10H15FN4O
SMILES:   Fc1cnc(nc1N(C)C)N1CCOCC1
InChI:   InChI=1/C10H15FN4O/c1-14(2)9-8(11)7-12-10(13-9)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3

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)=116.062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.255 g/mol  logS: -1.64202  SlogP: 0.5183  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0667036  Sterimol/B1: 2.2077  Sterimol/B2: 2.34731  Sterimol/B3: 3.88891
  Sterimol/B4: 6.85373  Sterimol/L: 12.6316 
 
 Surface and Volume Properties
  Accessible surface: 425.141  Positive charged surface: 375.28  Negative charged surface: 49.8614  Volume: 210.125
  Hydrophobic surface: 375.66  Hydrophilic surface: 49.481
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.