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


CHEMDIV-ZINC03665872

 MMsINC code: MMs00916171
Type: Neutral
Formula: C23H21N3O3
SMILES:   OC1(N(c2ccccc2)C(=O)Nc2c1cccc2)C(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C23H21N3O3/c1-16-11-13-17(14-12-16)15-24-21(27)23(29)19-9-5-6-10-20(19)25-22(28)26(23)18-7-3-2-4-8-18/h2-14,29H,15H2,1H3,(H,24,27)(H,25,28)/t23-/m1/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)=96.1382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.439 g/mol  logS: -5.53627  SlogP: 4.08652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176162  Sterimol/B1: 3.58997  Sterimol/B2: 5.26793  Sterimol/B3: 6.08389
  Sterimol/B4: 7.91134  Sterimol/L: 15.2827 
 
 Surface and Volume Properties
  Accessible surface: 635.62  Positive charged surface: 354.017  Negative charged surface: 281.604  Volume: 370.875
  Hydrophobic surface: 521.935  Hydrophilic surface: 113.685
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.