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


AURORAFEINCHEMIE-ZINC01816655

 MMsINC code: MMs00449058
Type: Neutral
Formula: C23H29NO2
SMILES:   O(CCC)c1ccc(cc1)C(=O)C(CN1CCCCC1)c1ccccc1
InChI:   InChI=1/C23H29NO2/c1-2-17-26-21-13-11-20(12-14-21)23(25)22(19-9-5-3-6-10-19)18-24-15-7-4-8-16-24/h3,5-6,9-14,22H,2,4,7-8,15-18H2,1H3/t22-/m0/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)=80.4131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.49 g/mol  logS: -4.62512  SlogP: 4.9278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131496  Sterimol/B1: 3.51717  Sterimol/B2: 3.97559  Sterimol/B3: 6.09084
  Sterimol/B4: 7.58999  Sterimol/L: 18.5303 
 
 Surface and Volume Properties
  Accessible surface: 660.591  Positive charged surface: 459.485  Negative charged surface: 201.105  Volume: 374.75
  Hydrophobic surface: 608.213  Hydrophilic surface: 52.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00449059
AURORAFEINCHEMIE-ZINC01816655