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


MAYBRIDGE-ZINC01044811

 MMsINC code: MMs02155732
Type: Ionized
Formula: C10H10F6N5+
SMILES:   FC(F)(F)c1cc(cc(NC(NC(=[NH2+])N)=N)c1)C(F)(F)F
InChI:   InChI=1/C10H9F6N5/c11-9(12,13)4-1-5(10(14,15)16)3-6(2-4)20-8(19)21-7(17)18/h1-3H,(H6,17,18,19,20,21)/p+1

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)=-72.4867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.213 g/mol  logS: -4.25294  SlogP: 1.35727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.046764  Sterimol/B1: 2.92916  Sterimol/B2: 3.18363  Sterimol/B3: 4.666
  Sterimol/B4: 5.00333  Sterimol/L: 14.3868 
 
 Surface and Volume Properties
  Accessible surface: 479.272  Positive charged surface: 206.537  Negative charged surface: 272.735  Volume: 228.5
  Hydrophobic surface: 75.9985  Hydrophilic surface: 403.2735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 3
  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:  
   
Parent related molecule:


MMs02155730
MAYBRIDGE-ZINC01044811