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


CHEMDIV-ZINC03657575

 MMsINC code: MMs00915279
Type: Neutral
Formula: C23H25FN2O4
SMILES:   Fc1ccc(cc1)C1N(CCOC)C(=O)c2c(cccc2)C1C(=O)N1CCOCC1
InChI:   InChI=1/C23H25FN2O4/c1-29-13-12-26-21(16-6-8-17(24)9-7-16)20(23(28)25-10-14-30-15-11-25)18-4-2-3-5-19(18)22(26)27/h2-9,20-21H,10-15H2,1H3/t20-,21+/m0/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)=127.708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.461 g/mol  logS: -4.04703  SlogP: 2.7071  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.337035  Sterimol/B1: 2.97702  Sterimol/B2: 3.09192  Sterimol/B3: 7.29999
  Sterimol/B4: 8.41846  Sterimol/L: 14.8976 
 
 Surface and Volume Properties
  Accessible surface: 634.956  Positive charged surface: 452.895  Negative charged surface: 182.061  Volume: 386.625
  Hydrophobic surface: 580.815  Hydrophilic surface: 54.141
 
 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: no related molecules available.