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


IBS-ZINC01857922

 MMsINC code: MMs01779010
Type: Neutral
Formula: C24H28N2O4
SMILES:   O(C)c1cc(ccc1OC)C(=O)N(CC1=Cc2cc(ccc2NC1=O)C)CCCC
InChI:   InChI=1/C24H28N2O4/c1-5-6-11-26(24(28)17-8-10-21(29-3)22(14-17)30-4)15-19-13-18-12-16(2)7-9-20(18)25-23(19)27/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,25,27)

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)=123.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -5.67814  SlogP: 4.29022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699698  Sterimol/B1: 2.30395  Sterimol/B2: 3.85706  Sterimol/B3: 4.11145
  Sterimol/B4: 11.7782  Sterimol/L: 17.8586 
 
 Surface and Volume Properties
  Accessible surface: 709.221  Positive charged surface: 504.119  Negative charged surface: 205.102  Volume: 402.5
  Hydrophobic surface: 584.094  Hydrophilic surface: 125.127
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.