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


ASINEX-ZINC01157129

 MMsINC code: MMs00229665
Type: Neutral
Formula: C25H29FN2O3
SMILES:   Fc1ccc(cc1)C(=O)C1C(N(CCCN(C)C)C(=O)C1=O)c1ccc(cc1)C(C)C
InChI:   InChI=1/C25H29FN2O3/c1-16(2)17-6-8-18(9-7-17)22-21(23(29)19-10-12-20(26)13-11-19)24(30)25(31)28(22)15-5-14-27(3)4/h6-13,16,21-22H,5,14-15H2,1-4H3/t21-,22+/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)=83.4997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.516 g/mol  logS: -5.65994  SlogP: 3.9478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132096  Sterimol/B1: 2.54314  Sterimol/B2: 3.78181  Sterimol/B3: 5.31512
  Sterimol/B4: 12.4389  Sterimol/L: 17.5969 
 
 Surface and Volume Properties
  Accessible surface: 732.715  Positive charged surface: 470.686  Negative charged surface: 262.028  Volume: 419.875
  Hydrophobic surface: 594.021  Hydrophilic surface: 138.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00229672
ASINEX-ZINC01157129


MMs00229666
ASINEX-ZINC01157129


MMs00229669
ASINEX-ZINC01157129


MMs00229667
ASINEX-ZINC01157129


MMs00229670
ASINEX-ZINC01157129


MMs00229671
ASINEX-ZINC01157129


MMs00229668
ASINEX-ZINC01157129