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


AURORAFEINCHEMIE-ZINC06412851

 MMsINC code: MMs00476917
Type: Neutral
Formula: C24H23N3O3
SMILES:   O(C)c1cc(cc(OC)c1)C(=O)NC(Cc1ccccc1)c1[nH]c2c(n1)cccc2
InChI:   InChI=1/C24H23N3O3/c1-29-18-13-17(14-19(15-18)30-2)24(28)27-22(12-16-8-4-3-5-9-16)23-25-20-10-6-7-11-21(20)26-23/h3-11,13-15,22H,12H2,1-2H3,(H,25,26)(H,27,28)/t22-/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)=94.6825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.466 g/mol  logS: -5.48056  SlogP: 4.38937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117603  Sterimol/B1: 2.32324  Sterimol/B2: 4.21653  Sterimol/B3: 6.77668
  Sterimol/B4: 10.291  Sterimol/L: 16.504 
 
 Surface and Volume Properties
  Accessible surface: 698.771  Positive charged surface: 448.458  Negative charged surface: 250.313  Volume: 391.875
  Hydrophobic surface: 622.378  Hydrophilic surface: 76.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: no related molecules available.