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


NCID-ZINC01613480

 MMsINC code: MMs02263610
Type: Neutral
Formula: C24H22FN3O
SMILES:   Fc1ccc(cc1)-c1nc2c(c3c1cccc3)cccc2C(=O)NCCN(C)C
InChI:   InChI=1/C24H22FN3O/c1-28(2)15-14-26-24(29)21-9-5-8-20-18-6-3-4-7-19(18)22(27-23(20)21)16-10-12-17(25)13-11-16/h3-13H,14-15H2,1-2H3,(H,26,29)

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)=133.029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.458 g/mol  logS: -6.58548  SlogP: 4.4855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.025254  Sterimol/B1: 2.32983  Sterimol/B2: 4.16429  Sterimol/B3: 5.86554
  Sterimol/B4: 7.92421  Sterimol/L: 18.2282 
 
 Surface and Volume Properties
  Accessible surface: 667.408  Positive charged surface: 420.67  Negative charged surface: 227.433  Volume: 376.5
  Hydrophobic surface: 616.513  Hydrophilic surface: 50.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02263611
NCID-ZINC01613480