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


AURORAFEINCHEMIE-ZINC06780026

 MMsINC code: MMs00481677
Type: Neutral
Formula: C25H24N2O2
SMILES:   O=C1N(Cc2c1cccc2)C(Cc1ccccc1)C(=O)Nc1ccc(cc1)CC
InChI:   InChI=1/C25H24N2O2/c1-2-18-12-14-21(15-13-18)26-24(28)23(16-19-8-4-3-5-9-19)27-17-20-10-6-7-11-22(20)25(27)29/h3-15,23H,2,16-17H2,1H3,(H,26,28)/t23-/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)=112.571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.479 g/mol  logS: -6.36236  SlogP: 4.72114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0586755  Sterimol/B1: 3.0094  Sterimol/B2: 4.61384  Sterimol/B3: 5.94337
  Sterimol/B4: 6.77052  Sterimol/L: 17.719 
 
 Surface and Volume Properties
  Accessible surface: 681.468  Positive charged surface: 404.379  Negative charged surface: 277.089  Volume: 390.375
  Hydrophobic surface: 606.78  Hydrophilic surface: 74.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.