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


PUBCHEM-ZINC01020799

 MMsINC code: MMs02758924
Type: Neutral
Formula: C24H22N2O3
SMILES:   Oc1ccc(cc1)C(N1CCC1=O)C(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H22N2O3/c27-20-13-11-19(12-14-20)23(26-16-15-21(26)28)24(29)25-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22-23,27H,15-16H2,(H,25,29)/t23-/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)=104.864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -4.8022  SlogP: 3.7624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156973  Sterimol/B1: 2.78974  Sterimol/B2: 3.50783  Sterimol/B3: 4.37264
  Sterimol/B4: 9.36162  Sterimol/L: 13.3266 
 
 Surface and Volume Properties
  Accessible surface: 672.755  Positive charged surface: 335.058  Negative charged surface: 273.394  Volume: 378.625
  Hydrophobic surface: 548.447  Hydrophilic surface: 124.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.