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


NCID-ZINC04776644

 MMsINC code: MMs02404630
Type: Neutral
Formula: C16H16N2O5
SMILES:   O(C)c1ccc(OC)cc1NC(=O)Nc1ccc(cc1)C(O)=O
InChI:   InChI=1/C16H16N2O5/c1-22-12-7-8-14(23-2)13(9-12)18-16(21)17-11-5-3-10(4-6-11)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)

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)=88.451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.313 g/mol  logS: -3.32221  SlogP: 3.046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0154765  Sterimol/B1: 2.55799  Sterimol/B2: 2.68495  Sterimol/B3: 2.81225
  Sterimol/B4: 9.34313  Sterimol/L: 15.9835 
 
 Surface and Volume Properties
  Accessible surface: 558.701  Positive charged surface: 387.79  Negative charged surface: 170.911  Volume: 288.125
  Hydrophobic surface: 388.849  Hydrophilic surface: 169.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02404631
NCID-ZINC04776644