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


COMGENEX-ZINC06871929

 MMsINC code: MMs01218961
Type: Neutral
Formula: C24H25FN2O2
SMILES:   Fc1cc(NC(=O)c2n(c3c(CCCC3)c2C)Cc2cc(OC)ccc2)ccc1
InChI:   InChI=1/C24H25FN2O2/c1-16-21-11-3-4-12-22(21)27(15-17-7-5-10-20(13-17)29-2)23(16)24(28)26-19-9-6-8-18(25)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,26,28)

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)=88.8956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.474 g/mol  logS: -5.20756  SlogP: 5.38996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100508  Sterimol/B1: 2.20489  Sterimol/B2: 3.20157  Sterimol/B3: 5.73763
  Sterimol/B4: 9.42044  Sterimol/L: 16.5507 
 
 Surface and Volume Properties
  Accessible surface: 656.183  Positive charged surface: 429.743  Negative charged surface: 226.441  Volume: 385.875
  Hydrophobic surface: 605.075  Hydrophilic surface: 51.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.