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


ENAMINE-ZINC02653909

MMsINC code: MMs01277362

Type: Neutral
Formula: C23H19NO5
SMILES:   O1c2cc(C(=O)C)c(NC(=O)COc3ccccc3-c3ccccc3)cc2OC1
InChI:   InChI=1/C23H19NO5/c1-15(25)18-11-21-22(29-14-28-21)12-19(18)24-23(26)13-27-20-10-6-5-9-17(20)16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,24,26)

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)=130.206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.407 g/mol  logS: -6.12544  SlogP: 4.3024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0503492  Sterimol/B1: 2.59349  Sterimol/B2: 2.86592  Sterimol/B3: 4.6982
  Sterimol/B4: 9.03251  Sterimol/L: 15.9206 
 
 Surface and Volume Properties
  Accessible surface: 656.996  Positive charged surface: 402.48  Negative charged surface: 249.943  Volume: 365
  Hydrophobic surface: 538.84  Hydrophilic surface: 118.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.