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


ASINEX-ZINC00373680

 MMsINC code: MMs00125927
Type: Neutral
Formula: C19H24N2O2
SMILES:   O(CC)c1cc(ccc1)C(=O)Nc1ccc(N(CC)CC)cc1
InChI:   InChI=1/C19H24N2O2/c1-4-21(5-2)17-12-10-16(11-13-17)20-19(22)15-8-7-9-18(14-15)23-6-3/h7-14H,4-6H2,1-3H3,(H,20,22)

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)=90.8361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.413 g/mol  logS: -4.31429  SlogP: 4.1838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166138  Sterimol/B1: 2.43038  Sterimol/B2: 2.4357  Sterimol/B3: 3.35512
  Sterimol/B4: 7.45667  Sterimol/L: 19.6172 
 
 Surface and Volume Properties
  Accessible surface: 611.942  Positive charged surface: 405.987  Negative charged surface: 205.955  Volume: 325.875
  Hydrophobic surface: 484.207  Hydrophilic surface: 127.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.