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


ASINEX-ZINC04981823

 MMsINC code: MMs00421400
Type: Neutral
Formula: C24H29N3O2
SMILES:   O=C(N1CCc2c(C1)cccc2)C1(NC(=O)NCc2ccccc2)CCCCC1
InChI:   InChI=1/C24H29N3O2/c28-22(27-16-13-20-11-5-6-12-21(20)18-27)24(14-7-2-8-15-24)26-23(29)25-17-19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2,(H2,25,26,29)

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)=78.7606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.515 g/mol  logS: -4.86172  SlogP: 4.30637  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.194816  Sterimol/B1: 3.88195  Sterimol/B2: 4.51162  Sterimol/B3: 5.29252
  Sterimol/B4: 8.41789  Sterimol/L: 15.2243 
 
 Surface and Volume Properties
  Accessible surface: 664.094  Positive charged surface: 431.233  Negative charged surface: 232.86  Volume: 392.75
  Hydrophobic surface: 609.404  Hydrophilic surface: 54.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.