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


PUBCHEM-ZINC00206832

 MMsINC code: MMs02639421
Type: Neutral
Formula: C15H14N2O3
SMILES:   OC(=O)CC(NC(=O)c1ccncc1)c1ccccc1
InChI:   InChI=1/C15H14N2O3/c18-14(19)10-13(11-4-2-1-3-5-11)17-15(20)12-6-8-16-9-7-12/h1-9,13H,10H2,(H,17,20)(H,18,19)/t13-/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)=40.1733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.288 g/mol  logS: -1.91853  SlogP: 2.1229  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.095233  Sterimol/B1: 2.44065  Sterimol/B2: 3.0281  Sterimol/B3: 3.73662
  Sterimol/B4: 7.30945  Sterimol/L: 13.9496 
 
 Surface and Volume Properties
  Accessible surface: 496.312  Positive charged surface: 305.291  Negative charged surface: 191.021  Volume: 253.5
  Hydrophobic surface: 364.543  Hydrophilic surface: 131.769
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02639422
PUBCHEM-ZINC00206832