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


PUBCHEM-ZINC01112893

 MMsINC code: MMs02772454
Type: Neutral
Formula: C23H23N3O4
SMILES:   O(C)c1ccc(cc1)CNC(=O)c1ccc(nc1)C(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C23H23N3O4/c1-29-19-8-3-16(4-9-19)13-25-22(27)18-7-12-21(24-15-18)23(28)26-14-17-5-10-20(30-2)11-6-17/h3-12,15H,13-14H2,1-2H3,(H,25,27)(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)=97.9906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.454 g/mol  logS: -4.20848  SlogP: 3.4916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455113  Sterimol/B1: 2.51248  Sterimol/B2: 3.15926  Sterimol/B3: 4.84693
  Sterimol/B4: 10.8747  Sterimol/L: 18.5218 
 
 Surface and Volume Properties
  Accessible surface: 733.761  Positive charged surface: 502.611  Negative charged surface: 231.15  Volume: 393.375
  Hydrophobic surface: 598.941  Hydrophilic surface: 134.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.