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


PUBCHEM-ZINC05932661

 MMsINC code: MMs03450576
Type: Neutral
Formula: C23H17F2N3O
SMILES:   FC(F)Cn1c2c(c3c(c4c5c(n(c24)C)cccc5)C(=O)NC3)c2c1cccc2
InChI:   InChI=1/C23H17F2N3O/c1-27-15-8-4-2-6-12(15)19-20-14(10-26-23(20)29)18-13-7-3-5-9-16(13)28(11-17(24)25)22(18)21(19)27/h2-9,17H,10-11H2,1H3,(H,26,29)

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)=173.146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.405 g/mol  logS: -6.2427  SlogP: 6.2598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294173  Sterimol/B1: 2.51496  Sterimol/B2: 3.31831  Sterimol/B3: 3.64418
  Sterimol/B4: 9.42475  Sterimol/L: 15.4979 
 
 Surface and Volume Properties
  Accessible surface: 563.411  Positive charged surface: 303.185  Negative charged surface: 238.632  Volume: 344.25
  Hydrophobic surface: 421.508  Hydrophilic surface: 141.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.