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


ASINEX-ZINC00186956

 MMsINC code: MMs00087825
Type: Neutral
Formula: C18H13F3N2O2
SMILES:   FC1=CN(Cc2ccc(F)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O
InChI:   InChI=1/C18H13F3N2O2/c19-14-5-1-12(2-6-14)9-22-11-16(21)17(24)23(18(22)25)10-13-3-7-15(20)8-4-13/h1-8,11H,9-10H2

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)=38.0764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.308 g/mol  logS: -4.71607  SlogP: 4.3818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0930388  Sterimol/B1: 2.6213  Sterimol/B2: 3.84114  Sterimol/B3: 3.96548
  Sterimol/B4: 7.05871  Sterimol/L: 15.9588 
 
 Surface and Volume Properties
  Accessible surface: 539.228  Positive charged surface: 265.208  Negative charged surface: 274.02  Volume: 296.75
  Hydrophobic surface: 478.297  Hydrophilic surface: 60.931
 
 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.