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


PUBCHEM-ZINC01853323

 MMsINC code: MMs02826956
Type: Neutral
Formula: C23H33N3O
SMILES:   O(CCN(C(C)C)C(C)C)c1ccc(N\C(=N/CC)\c2ccccc2)cc1
InChI:   InChI=1/C23H33N3O/c1-6-24-23(20-10-8-7-9-11-20)25-21-12-14-22(15-13-21)27-17-16-26(18(2)3)19(4)5/h7-15,18-19H,6,16-17H2,1-5H3,(H,24,25)

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)=174.904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.537 g/mol  logS: -5.03396  SlogP: 5.0628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619036  Sterimol/B1: 2.54486  Sterimol/B2: 4.01629  Sterimol/B3: 4.05281
  Sterimol/B4: 8.98685  Sterimol/L: 18.6084 
 
 Surface and Volume Properties
  Accessible surface: 675.848  Positive charged surface: 468.411  Negative charged surface: 207.437  Volume: 391.875
  Hydrophobic surface: 568.476  Hydrophilic surface: 107.372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02826957
PUBCHEM-ZINC01853323