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


IBS-ZINC06759172

 MMsINC code: MMs01969334
Type: Neutral
Formula: C23H20N2O3
SMILES:   O(C)c1ccc(cc1)C1=Nc2c(cccc2)C(=O)N1CCc1ccc(O)cc1
InChI:   InChI=1/C23H20N2O3/c1-28-19-12-8-17(9-13-19)22-24-21-5-3-2-4-20(21)23(27)25(22)15-14-16-6-10-18(26)11-7-16/h2-13,26H,14-15H2,1H3

Download   format file 
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)=101.818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.424 g/mol  logS: -5.37116  SlogP: 4.17757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584968  Sterimol/B1: 2.1305  Sterimol/B2: 2.59489  Sterimol/B3: 4.37711
  Sterimol/B4: 11.4572  Sterimol/L: 16.3099 
 
 Surface and Volume Properties
  Accessible surface: 624.385  Positive charged surface: 390.756  Negative charged surface: 233.63  Volume: 358.5
  Hydrophobic surface: 525.451  Hydrophilic surface: 98.934
 
 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.