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


ASINEX-ZINC04988453

 MMsINC code: MMs00424365
Type: Neutral
Formula: C19H20N2O3
SMILES:   o1c2c(nc1-c1cc(NC(=O)CC)cc(C)c1O)cc(cc2)CC
InChI:   InChI=1/C19H20N2O3/c1-4-12-6-7-16-15(9-12)21-19(24-16)14-10-13(20-17(22)5-2)8-11(3)18(14)23/h6-10,23H,4-5H2,1-3H3,(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)=73.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.38 g/mol  logS: -5.89943  SlogP: 4.41969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228048  Sterimol/B1: 2.13882  Sterimol/B2: 3.62677  Sterimol/B3: 4.86349
  Sterimol/B4: 8.16483  Sterimol/L: 15.8214 
 
 Surface and Volume Properties
  Accessible surface: 606.483  Positive charged surface: 410.601  Negative charged surface: 195.882  Volume: 316.25
  Hydrophobic surface: 451.337  Hydrophilic surface: 155.146
 
 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.