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


IBS-ZINC02123062

 MMsINC code: MMs01790663
Type: Neutral
Formula: C23H19NO4
SMILES:   O1c2c(-c3c(cccc3)C1=O)cc1c(OCN(C1)c1ccc(OC)cc1)c2C
InChI:   InChI=1/C23H19NO4/c1-14-21-15(12-24(13-27-21)16-7-9-17(26-2)10-8-16)11-20-18-5-3-4-6-19(18)23(25)28-22(14)20/h3-11H,12-13H2,1-2H3

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)=167.882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.408 g/mol  logS: -6.50244  SlogP: 4.82612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130431  Sterimol/B1: 2.03725  Sterimol/B2: 2.61961  Sterimol/B3: 3.09916
  Sterimol/B4: 9.415  Sterimol/L: 18.7784 
 
 Surface and Volume Properties
  Accessible surface: 614.141  Positive charged surface: 384.241  Negative charged surface: 220.049  Volume: 349
  Hydrophobic surface: 525.548  Hydrophilic surface: 88.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.