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


ENAMINE-ZINC03543666

 MMsINC code: MMs01499492
Type: Neutral
Formula: C15H14N2O5
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=Cc1ccc(cc1)C(OC)=O
InChI:   InChI=1/C15H14N2O5/c1-16-12(18)11(13(19)17(2)15(16)21)8-9-4-6-10(7-5-9)14(20)22-3/h4-8H,1-3H3

Download   format file 
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)=41.3894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.286 g/mol  logS: -2.98085  SlogP: 0.907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0392917  Sterimol/B1: 2.44707  Sterimol/B2: 3.43911  Sterimol/B3: 3.88818
  Sterimol/B4: 5.39841  Sterimol/L: 16.1402 
 
 Surface and Volume Properties
  Accessible surface: 524.939  Positive charged surface: 378.774  Negative charged surface: 146.164  Volume: 268.625
  Hydrophobic surface: 399.44  Hydrophilic surface: 125.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.