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


PUBCHEM-ZINC06536336

 MMsINC code: MMs03787226
Type: Neutral
Formula: C24H35N3O3
SMILES:   OCC(NC(=O)c1[nH]c2c(c1)cccc2)C(=O)NC1CCCCCCCCCCC1
InChI:   InChI=1/C24H35N3O3/c28-17-22(27-23(29)21-16-18-12-10-11-15-20(18)26-21)24(30)25-19-13-8-6-4-2-1-3-5-7-9-14-19/h10-12,15-16,19,22,26,28H,1-9,13-14,17H2,(H,25,30)(H,27,29)/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)=147.803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.562 g/mol  logS: -6.50632  SlogP: 4.0481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11435  Sterimol/B1: 4.50581  Sterimol/B2: 4.57567  Sterimol/B3: 5.28796
  Sterimol/B4: 5.29586  Sterimol/L: 18.7486 
 
 Surface and Volume Properties
  Accessible surface: 691.745  Positive charged surface: 454.43  Negative charged surface: 231.751  Volume: 420.5
  Hydrophobic surface: 569.854  Hydrophilic surface: 121.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.