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


ASINEX-ZINC04066257

MMsINC code: MMs00300870

Type: Neutral
Formula: C19H24N2O5
SMILES:   O(C(=O)C=1C(NC(=O)NC=1C)c1cc(OC)c(O)cc1)C1CCCC1C
InChI:   InChI=1/C19H24N2O5/c1-10-5-4-6-14(10)26-18(23)16-11(2)20-19(24)21-17(16)12-7-8-13(22)15(9-12)25-3/h7-10,14,17,22H,4-6H2,1-3H3,(H2,20,21,24)/t10-,14+,17-/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)=54.6814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.41 g/mol  logS: -3.36368  SlogP: 2.856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259146  Sterimol/B1: 3.20557  Sterimol/B2: 4.18014  Sterimol/B3: 5.48858
  Sterimol/B4: 7.77971  Sterimol/L: 12.29 
 
 Surface and Volume Properties
  Accessible surface: 574.54  Positive charged surface: 408.06  Negative charged surface: 166.479  Volume: 340.375
  Hydrophobic surface: 390.742  Hydrophilic surface: 183.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.