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


PUBCHEM-ZINC05751517

 MMsINC code: MMs03370872
Type: Neutral
Formula: C23H29NO2
SMILES:   O(C(CC1N(CCCC1)C)C)C(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H29NO2/c1-18(17-21-15-9-10-16-24(21)2)26-23(25)22(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18,21-22H,9-10,15-17H2,1-2H3/t18-,21+/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)=92.5068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.49 g/mol  logS: -4.65156  SlogP: 4.6246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193316  Sterimol/B1: 2.12634  Sterimol/B2: 4.17768  Sterimol/B3: 4.7198
  Sterimol/B4: 10.0272  Sterimol/L: 15.3018 
 
 Surface and Volume Properties
  Accessible surface: 612.935  Positive charged surface: 427.224  Negative charged surface: 185.711  Volume: 372.375
  Hydrophobic surface: 573.378  Hydrophilic surface: 39.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03370873
PUBCHEM-ZINC05751517