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


ASINEX-ZINC04231149

 MMsINC code: MMs00320648
Type: Neutral
Formula: C24H23FN2O4
SMILES:   Fc1cc(ccc1)C(=O)N(CC1=Cc2c(NC1=O)cc1OCOc1c2)C1CCCCC1
InChI:   InChI=1/C24H23FN2O4/c25-18-6-4-5-15(10-18)24(29)27(19-7-2-1-3-8-19)13-17-9-16-11-21-22(31-14-30-21)12-20(16)26-23(17)28/h4-6,9-12,19H,1-3,7-8,13-14H2,(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)=217.927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.456 g/mol  logS: -5.78048  SlogP: 4.365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.216542  Sterimol/B1: 2.53165  Sterimol/B2: 3.56855  Sterimol/B3: 6.29264
  Sterimol/B4: 8.73163  Sterimol/L: 15.1944 
 
 Surface and Volume Properties
  Accessible surface: 617.255  Positive charged surface: 396.892  Negative charged surface: 220.363  Volume: 379.75
  Hydrophobic surface: 479.557  Hydrophilic surface: 137.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.