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


IBS-ZINC05346027

 MMsINC code: MMs01941675
Type: Neutral
Formula: C23H27N3O3
SMILES:   O(C)c1cc2cc([nH]c2cc1OC)C(=O)NC1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C23H27N3O3/c1-28-21-13-17-12-20(25-19(17)14-22(21)29-2)23(27)24-18-8-10-26(11-9-18)15-16-6-4-3-5-7-16/h3-7,12-14,18,25H,8-11,15H2,1-2H3,(H,24,27)

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)=77.9907 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.487 g/mol  logS: -4.29276  SlogP: 3.8459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0626019  Sterimol/B1: 1.99372  Sterimol/B2: 4.43388  Sterimol/B3: 5.00815
  Sterimol/B4: 7.5634  Sterimol/L: 20.5494 
 
 Surface and Volume Properties
  Accessible surface: 709.021  Positive charged surface: 511.263  Negative charged surface: 191.782  Volume: 387.75
  Hydrophobic surface: 619.905  Hydrophilic surface: 89.116
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01941676
IBS-ZINC05346027