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


ENAMINE-ZINC03490163

 MMsINC code: MMs01470840
Type: Neutral
Formula: C25H24N2O4
SMILES:   O(C(=O)CC(NC(=O)c1ccccc1)c1ccccc1)CC(=O)Nc1cc(ccc1)C
InChI:   InChI=1/C25H24N2O4/c1-18-9-8-14-21(15-18)26-23(28)17-31-24(29)16-22(19-10-4-2-5-11-19)27-25(30)20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,26,28)(H,27,30)/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)=96.8189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -6.05935  SlogP: 4.13362  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0408063  Sterimol/B1: 3.67367  Sterimol/B2: 4.02848  Sterimol/B3: 5.8455
  Sterimol/B4: 7.80602  Sterimol/L: 19.1997 
 
 Surface and Volume Properties
  Accessible surface: 747.773  Positive charged surface: 433.802  Negative charged surface: 313.971  Volume: 406
  Hydrophobic surface: 643.133  Hydrophilic surface: 104.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.