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


PUBCHEM-ZINC06692918

 MMsINC code: MMs03840604
Type: Neutral
Formula: C23H32N4O3
SMILES:   O(CCN(CC(=O)N1CCn2c(ccc2)C1c1ccccc1)C(=O)NC(C)(C)C)C
InChI:   InChI=1/C23H32N4O3/c1-23(2,3)24-22(29)26(15-16-30-4)17-20(28)27-14-13-25-12-8-11-19(25)21(27)18-9-6-5-7-10-18/h5-12,21H,13-17H2,1-4H3,(H,24,29)/t21-/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)=96.2406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.534 g/mol  logS: -2.86398  SlogP: 3.2381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.340009  Sterimol/B1: 2.48946  Sterimol/B2: 5.05763  Sterimol/B3: 6.01254
  Sterimol/B4: 9.68427  Sterimol/L: 14.639 
 
 Surface and Volume Properties
  Accessible surface: 673.268  Positive charged surface: 494.728  Negative charged surface: 178.541  Volume: 419.125
  Hydrophobic surface: 579.24  Hydrophilic surface: 94.028
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.