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


ASINEX-ZINC00488697

 MMsINC code: MMs00137143
Type: Neutral
Formula: C14H16N2O5
SMILES:   O(C)c1cc2c(NC(=O)C(C(=O)NCC)=C2O)cc1OC
InChI:   InChI=1/C14H16N2O5/c1-4-15-13(18)11-12(17)7-5-9(20-2)10(21-3)6-8(7)16-14(11)19/h5-6H,4H2,1-3H3,(H,15,18)(H2,16,17,19)

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)=65.0695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.291 g/mol  logS: -2.4994  SlogP: 1.0611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0434808  Sterimol/B1: 2.25689  Sterimol/B2: 4.95232  Sterimol/B3: 5.06881
  Sterimol/B4: 5.27769  Sterimol/L: 16.2177 
 
 Surface and Volume Properties
  Accessible surface: 525.36  Positive charged surface: 386.579  Negative charged surface: 138.782  Volume: 263.125
  Hydrophobic surface: 345.465  Hydrophilic surface: 179.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.