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


PUBCHEM-ZINC05974781

 MMsINC code: MMs03470499
Type: Neutral
Formula: C24H22FN3
SMILES:   Fc1ccc(cc1)C(NCc1ccc(cc1)-c1ccccc1)Cn1ccnc1
InChI:   InChI=1/C24H22FN3/c25-23-12-10-22(11-13-23)24(17-28-15-14-26-18-28)27-16-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-15,18,24,27H,16-17H2/t24-/m1/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)=89.2009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.459 g/mol  logS: -5.90721  SlogP: 5.8486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575674  Sterimol/B1: 3.14432  Sterimol/B2: 4.28216  Sterimol/B3: 5.06492
  Sterimol/B4: 5.44814  Sterimol/L: 19.5446 
 
 Surface and Volume Properties
  Accessible surface: 648.468  Positive charged surface: 381.978  Negative charged surface: 256.176  Volume: 376.125
  Hydrophobic surface: 603.712  Hydrophilic surface: 44.756
 
 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


MMs03470500
PUBCHEM-ZINC05974781