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


ENAMINE-ZINC02721581

 MMsINC code: MMs01286353
Type: Neutral
Formula: C24H22FN3O
SMILES:   Fc1ccc(cc1)C(=O)NC(Cc1ccccc1)c1nc2c(n1CC)cccc2
InChI:   InChI=1/C24H22FN3O/c1-2-28-22-11-7-6-10-20(22)26-23(28)21(16-17-8-4-3-5-9-17)27-24(29)18-12-14-19(25)15-13-18/h3-15,21H,2,16H2,1H3,(H,27,29)/t21-/m0/s1

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)=80.0824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.458 g/mol  logS: -5.896  SlogP: 5.27097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150208  Sterimol/B1: 2.23368  Sterimol/B2: 5.284  Sterimol/B3: 6.62473
  Sterimol/B4: 7.28562  Sterimol/L: 15.93 
 
 Surface and Volume Properties
  Accessible surface: 647.512  Positive charged surface: 362.756  Negative charged surface: 284.756  Volume: 378.625
  Hydrophobic surface: 592.407  Hydrophilic surface: 55.105
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.