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


ENAMINE-ZINC03268817

 MMsINC code: MMs01341250
Type: Neutral
Formula: C25H26N2O3
SMILES:   O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C25H26N2O3/c1-19-12-14-21(15-13-19)17-26-24(28)23(16-20-8-4-2-5-9-20)27-25(29)30-18-22-10-6-3-7-11-22/h2-15,23H,16-18H2,1H3,(H,26,28)(H,27,29)/t23-/m1/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)=74.4431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -5.85159  SlogP: 4.68169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448743  Sterimol/B1: 3.15814  Sterimol/B2: 4.23073  Sterimol/B3: 5.11517
  Sterimol/B4: 6.22453  Sterimol/L: 21.6502 
 
 Surface and Volume Properties
  Accessible surface: 731.279  Positive charged surface: 434.56  Negative charged surface: 296.719  Volume: 406.375
  Hydrophobic surface: 642.07  Hydrophilic surface: 89.209
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.