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


OTAVA-ZINC05484966

 MMsINC code: MMs02598030
Type: Neutral
Formula: C24H19NO4
SMILES:   O=C1N(Cc2ccccc2)C(=O)c2c1cc(cc2)C(OCc1ccc(cc1)C)=O
InChI:   InChI=1/C24H19NO4/c1-16-7-9-18(10-8-16)15-29-24(28)19-11-12-20-21(13-19)23(27)25(22(20)26)14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3

Download   format file 
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)=70.7055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.419 g/mol  logS: -6.32618  SlogP: 4.68102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527814  Sterimol/B1: 2.84595  Sterimol/B2: 3.85142  Sterimol/B3: 4.27536
  Sterimol/B4: 6.14216  Sterimol/L: 20.6846 
 
 Surface and Volume Properties
  Accessible surface: 681.586  Positive charged surface: 378.466  Negative charged surface: 303.12  Volume: 370.375
  Hydrophobic surface: 563.451  Hydrophilic surface: 118.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.