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


ASINEX-ZINC00828379

 MMsINC code: MMs00184367
Type: Neutral
Formula: C24H22N2O3
SMILES:   O1c2cc(ccc2OC1)C(=O)N1c2c(cccc2)C(Nc2ccccc2)CC1C
InChI:   InChI=1/C24H22N2O3/c1-16-13-20(25-18-7-3-2-4-8-18)19-9-5-6-10-21(19)26(16)24(27)17-11-12-22-23(14-17)29-15-28-22/h2-12,14,16,20,25H,13,15H2,1H3/t16-,20+/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)=216.811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -5.44616  SlogP: 5.103  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691682  Sterimol/B1: 2.25896  Sterimol/B2: 3.79397  Sterimol/B3: 3.95846
  Sterimol/B4: 8.78309  Sterimol/L: 17.8081 
 
 Surface and Volume Properties
  Accessible surface: 609.355  Positive charged surface: 387.215  Negative charged surface: 222.141  Volume: 362.625
  Hydrophobic surface: 500.822  Hydrophilic surface: 108.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.