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


CHEMDIV-ZINC03906679

 MMsINC code: MMs00919246
Type: Neutral
Formula: C19H18N2O5
SMILES:   O(C)c1cc(NC(=O)Cc2c3c([nH]c2C(O)=O)cccc3)ccc1OC
InChI:   InChI=1/C19H18N2O5/c1-25-15-8-7-11(9-16(15)26-2)20-17(22)10-13-12-5-3-4-6-14(12)21-18(13)19(23)24/h3-9,21H,10H2,1-2H3,(H,20,22)(H,23,24)

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)=90.586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.362 g/mol  logS: -3.92932  SlogP: 3.06447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132906  Sterimol/B1: 2.25149  Sterimol/B2: 3.5544  Sterimol/B3: 6.21486
  Sterimol/B4: 7.09325  Sterimol/L: 15.6763 
 
 Surface and Volume Properties
  Accessible surface: 607.355  Positive charged surface: 412.985  Negative charged surface: 191.044  Volume: 324.625
  Hydrophobic surface: 444.938  Hydrophilic surface: 162.417
 
 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


MMs00919247
CHEMDIV-ZINC03906679