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


IFLAB-ZINC05051513

 MMsINC code: MMs02070073
Type: Neutral
Formula: C18H20N2O3
SMILES:   O(CC)c1ccc(NC(=O)C(=O)NCc2ccc(cc2)C)cc1
InChI:   InChI=1/C18H20N2O3/c1-3-23-16-10-8-15(9-11-16)20-18(22)17(21)19-12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3,(H,19,21)(H,20,22)

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)=78.6445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.369 g/mol  logS: -4.37895  SlogP: 2.91502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0288444  Sterimol/B1: 2.75313  Sterimol/B2: 3.51875  Sterimol/B3: 3.93647
  Sterimol/B4: 6.07281  Sterimol/L: 21.1887 
 
 Surface and Volume Properties
  Accessible surface: 619.306  Positive charged surface: 392.045  Negative charged surface: 227.261  Volume: 309.375
  Hydrophobic surface: 484.938  Hydrophilic surface: 134.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.