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


PUBCHEM-ZINC02953907

 MMsINC code: MMs02966063
Type: Neutral
Formula: C24H20FN3O3
SMILES:   Fc1cc(\N=C/2\Oc3c(C=C\2C(=O)Nc2ccccc2C)c(cnc3C)CO)ccc1
InChI:   InChI=1/C24H20FN3O3/c1-14-6-3-4-9-21(14)28-23(30)20-11-19-16(13-29)12-26-15(2)22(19)31-24(20)27-18-8-5-7-17(25)10-18/h3-12,29H,13H2,1-2H3,(H,28,30)/b27-24+

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)=153.011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.44 g/mol  logS: -5.97737  SlogP: 4.74094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0701688  Sterimol/B1: 2.47589  Sterimol/B2: 2.67508  Sterimol/B3: 4.77207
  Sterimol/B4: 9.0051  Sterimol/L: 16.0784 
 
 Surface and Volume Properties
  Accessible surface: 630.179  Positive charged surface: 393.204  Negative charged surface: 236.975  Volume: 382.125
  Hydrophobic surface: 521.034  Hydrophilic surface: 109.145
 
 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.