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


PUBCHEM-ZINC04602151

 MMsINC code: MMs03140473
Type: Neutral
Formula: C25H34N2O3
SMILES:   O(Cc1ccccc1)c1ccc(NC(=O)CCC(=O)NCC(CCCC)CC)cc1
InChI:   InChI=1/C25H34N2O3/c1-3-5-9-20(4-2)18-26-24(28)16-17-25(29)27-22-12-14-23(15-13-22)30-19-21-10-7-6-8-11-21/h6-8,10-15,20H,3-5,9,16-19H2,1-2H3,(H,26,28)(H,27,29)/t20-/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)=73.4122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.558 g/mol  logS: -6.13329  SlogP: 5.5833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219994  Sterimol/B1: 2.27226  Sterimol/B2: 2.53541  Sterimol/B3: 5.33693
  Sterimol/B4: 8.36114  Sterimol/L: 26.524 
 
 Surface and Volume Properties
  Accessible surface: 820.123  Positive charged surface: 557.403  Negative charged surface: 262.72  Volume: 432.75
  Hydrophobic surface: 677.934  Hydrophilic surface: 142.189
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.