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


PUBCHEM-ZINC06484348

 MMsINC code: MMs03760561
Type: Neutral
Formula: C19H22N2O3
SMILES:   O(C)c1ccc(cc1)CNC1C(O)C(NC1=O)Cc1ccccc1
InChI:   InChI=1/C19H22N2O3/c1-24-15-9-7-14(8-10-15)12-20-17-18(22)16(21-19(17)23)11-13-5-3-2-4-6-13/h2-10,16-18,20,22H,11-12H2,1H3,(H,21,23)/t16-,17+,18+/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)=93.6869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.396 g/mol  logS: -3.124  SlogP: 1.52177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0438288  Sterimol/B1: 2.05956  Sterimol/B2: 3.48381  Sterimol/B3: 4.5284
  Sterimol/B4: 4.81906  Sterimol/L: 20.1062 
 
 Surface and Volume Properties
  Accessible surface: 607.349  Positive charged surface: 405.977  Negative charged surface: 201.372  Volume: 322.5
  Hydrophobic surface: 498.316  Hydrophilic surface: 109.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.