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


AURORAFEINCHEMIE-ZINC05307758

 MMsINC code: MMs00473662
Type: Neutral
Formula: C23H17NO4
SMILES:   O=C1c2c(-c3c1cccc3)c(ccc2)C(=O)NC(Cc1ccccc1)C(O)=O
InChI:   InChI=1/C23H17NO4/c25-21-16-10-5-4-9-15(16)20-17(21)11-6-12-18(20)22(26)24-19(23(27)28)13-14-7-2-1-3-8-14/h1-12,19H,13H2,(H,24,26)(H,27,28)/t19-/m0/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)=110.717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.392 g/mol  logS: -6.20991  SlogP: 3.32367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.273549  Sterimol/B1: 2.63413  Sterimol/B2: 2.89306  Sterimol/B3: 6.72824
  Sterimol/B4: 8.6356  Sterimol/L: 13.27 
 
 Surface and Volume Properties
  Accessible surface: 599.951  Positive charged surface: 316.764  Negative charged surface: 274.897  Volume: 346.375
  Hydrophobic surface: 451.828  Hydrophilic surface: 148.123
 
 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


MMs00473663
AURORAFEINCHEMIE-ZINC05307758