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


CHEMDIV-ZINC03061765

 MMsINC code: MMs00909231
Type: Neutral
Formula: C23H26FN5O2
SMILES:   Fc1ccccc1N1CCN(CC1)CCCNC(=O)C1=Cc2c(NC1=O)ccnc2C
InChI:   InChI=1/C23H26FN5O2/c1-16-17-15-18(23(31)27-20(17)7-9-25-16)22(30)26-8-4-10-28-11-13-29(14-12-28)21-6-3-2-5-19(21)24/h2-3,5-7,9,15H,4,8,10-14H2,1H3,(H,26,30)(H,27,31)

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)=145.806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.492 g/mol  logS: -3.71783  SlogP: 2.19312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0191554  Sterimol/B1: 2.54444  Sterimol/B2: 3.29631  Sterimol/B3: 3.51174
  Sterimol/B4: 6.71838  Sterimol/L: 22.6865 
 
 Surface and Volume Properties
  Accessible surface: 719.714  Positive charged surface: 505.69  Negative charged surface: 214.024  Volume: 399
  Hydrophobic surface: 594.327  Hydrophilic surface: 125.387
 
 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


MMs00909232
CHEMDIV-ZINC03061765