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


PUBCHEM-ZINC06062640

 MMsINC code: MMs03518837
Type: Neutral
Formula: C24H18N2O4
SMILES:   OC(=O)c1cc(nc2c1cccc2)-c1cc2c(nc3c(CCCC3)c2C(O)=O)cc1
InChI:   InChI=1/C24H18N2O4/c27-23(28)16-12-21(26-18-7-3-1-5-14(16)18)13-9-10-20-17(11-13)22(24(29)30)15-6-2-4-8-19(15)25-20/h1,3,5,7,9-12H,2,4,6,8H2,(H,27,28)(H,29,30)

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)=104.112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.418 g/mol  logS: -5.98475  SlogP: 4.72514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0112953  Sterimol/B1: 2.92428  Sterimol/B2: 3.03313  Sterimol/B3: 3.47945
  Sterimol/B4: 7.48245  Sterimol/L: 18.0648 
 
 Surface and Volume Properties
  Accessible surface: 639.639  Positive charged surface: 364.005  Negative charged surface: 259.484  Volume: 363.125
  Hydrophobic surface: 436.497  Hydrophilic surface: 203.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03518838
PUBCHEM-ZINC06062640