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


PUBCHEM-ZINC02953278

 MMsINC code: MMs02965957
Type: Neutral
Formula: C24H20FN3O3
SMILES:   Fc1cc(\N=C/2\Oc3c(C=C\2C(=O)Nc2cc(ccc2)C)c(cnc3C)CO)ccc1
InChI:   InChI=1/C24H20FN3O3/c1-14-5-3-7-18(9-14)27-23(30)21-11-20-16(13-29)12-26-15(2)22(20)31-24(21)28-19-8-4-6-17(25)10-19/h3-12,29H,13H2,1-2H3,(H,27,30)/b28-24+

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)=149.8 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.44 g/mol  logS: -6.29082  SlogP: 4.74094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0833585  Sterimol/B1: 2.64607  Sterimol/B2: 4.29714  Sterimol/B3: 5.61487
  Sterimol/B4: 7.63311  Sterimol/L: 16.2834 
 
 Surface and Volume Properties
  Accessible surface: 632.035  Positive charged surface: 395.718  Negative charged surface: 236.317  Volume: 382.125
  Hydrophobic surface: 516.516  Hydrophilic surface: 115.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.