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


PUBCHEM-ZINC06405247

 MMsINC code: MMs03709185
Type: Neutral
Formula: C25H22N2O3
SMILES:   O(C)c1cc(\N=C\C=2c3c(cccc3)C(=O)N(C=2O)c2cc(C)c(cc2)C)ccc1
InChI:   InChI=1/C25H22N2O3/c1-16-11-12-19(13-17(16)2)27-24(28)22-10-5-4-9-21(22)23(25(27)29)15-26-18-7-6-8-20(14-18)30-3/h4-15,29H,1-3H3/b26-15+

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)=154.073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.462 g/mol  logS: -6.56613  SlogP: 5.60154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482436  Sterimol/B1: 2.81124  Sterimol/B2: 3.26057  Sterimol/B3: 4.48697
  Sterimol/B4: 9.18246  Sterimol/L: 19.88 
 
 Surface and Volume Properties
  Accessible surface: 680.774  Positive charged surface: 419.252  Negative charged surface: 261.522  Volume: 386.25
  Hydrophobic surface: 602.892  Hydrophilic surface: 77.882
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.