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


ASINEX-ZINC00849011

 MMsINC code: MMs00191430
Type: Neutral
Formula: C25H24N2O3
SMILES:   o1c2c(nc1-c1cc(NC(=O)c3cc(OC(C)C)ccc3)ccc1)cc(cc2)CC
InChI:   InChI=1/C25H24N2O3/c1-4-17-11-12-23-22(13-17)27-25(30-23)19-8-5-9-20(14-19)26-24(28)18-7-6-10-21(15-18)29-16(2)3/h5-16H,4H2,1-3H3,(H,26,28)

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)=106.888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.478 g/mol  logS: -8.36448  SlogP: 6.09667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0165704  Sterimol/B1: 2.32105  Sterimol/B2: 3.6085  Sterimol/B3: 4.33004
  Sterimol/B4: 8.99861  Sterimol/L: 21.9416 
 
 Surface and Volume Properties
  Accessible surface: 734.677  Positive charged surface: 446.021  Negative charged surface: 288.656  Volume: 397.125
  Hydrophobic surface: 588.61  Hydrophilic surface: 146.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.