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


CHEMDIV-ZINC04881886

 MMsINC code: MMs00960484
Type: Neutral
Formula: C25H21FN2O2
SMILES:   Fc1cc(NC(=O)C2C3N(CCc4c3cccc4)C(=O)c3c2cccc3)ccc1C
InChI:   InChI=1/C25H21FN2O2/c1-15-10-11-17(14-21(15)26)27-24(29)22-19-8-4-5-9-20(19)25(30)28-13-12-16-6-2-3-7-18(16)23(22)28/h2-11,14,22-23H,12-13H2,1H3,(H,27,29)/t22-,23-/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)=218.58 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.453 g/mol  logS: -5.8871  SlogP: 4.70509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104745  Sterimol/B1: 2.49875  Sterimol/B2: 4.7217  Sterimol/B3: 6.22344
  Sterimol/B4: 6.43547  Sterimol/L: 14.9903 
 
 Surface and Volume Properties
  Accessible surface: 595.986  Positive charged surface: 353.686  Negative charged surface: 242.3  Volume: 368.875
  Hydrophobic surface: 542.955  Hydrophilic surface: 53.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.