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


IBS-ZINC02423236

 MMsINC code: MMs01859187
Type: Neutral
Formula: C24H24N2O2
SMILES:   O(C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c27-24(28-22-14-8-3-9-15-22)26-18-16-25(17-19-26)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2

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)=109.836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.0488  SlogP: 4.6881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0937962  Sterimol/B1: 2.32267  Sterimol/B2: 4.00381  Sterimol/B3: 4.00501
  Sterimol/B4: 9.31967  Sterimol/L: 17.3136 
 
 Surface and Volume Properties
  Accessible surface: 662.862  Positive charged surface: 415.28  Negative charged surface: 247.582  Volume: 376
  Hydrophobic surface: 633.661  Hydrophilic surface: 29.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01859188
IBS-ZINC02423236