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


MAYBRIDGE-ZINC04299502

MMsINC code: MMs02163277

Type: Neutral
Formula: C15H12F6N4O
SMILES:   FC(F)(F)c1cc(ccc1)C(=O)NCCNc1nc(ccn1)C(F)(F)F
InChI:   InChI=1/C15H12F6N4O/c16-14(17,18)10-3-1-2-9(8-10)12(26)22-6-7-24-13-23-5-4-11(25-13)15(19,20)21/h1-5,8H,6-7H2,(H,22,26)(H,23,24,25)

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)=62.9761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.276 g/mol  logS: -4.89243  SlogP: 3.9791  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0086997  Sterimol/B1: 2.3742  Sterimol/B2: 2.56473  Sterimol/B3: 2.81532
  Sterimol/B4: 5.8171  Sterimol/L: 19.5999 
 
 Surface and Volume Properties
  Accessible surface: 585.526  Positive charged surface: 258.487  Negative charged surface: 327.039  Volume: 290.75
  Hydrophobic surface: 282.627  Hydrophilic surface: 302.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.