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


ASINEX-ZINC00206293

 MMsINC code: MMs00092167
Type: Neutral
Formula: C19H30N2O2
SMILES:   O(CC(=O)NC1CC(NC(C1)(C)C)(C)C)c1ccc(cc1C)C
InChI:   InChI=1/C19H30N2O2/c1-13-7-8-16(14(2)9-13)23-12-17(22)20-15-10-18(3,4)21-19(5,6)11-15/h7-9,15,21H,10-12H2,1-6H3,(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)=65.0572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.461 g/mol  logS: -3.87038  SlogP: 3.10764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628687  Sterimol/B1: 3.68619  Sterimol/B2: 3.90588  Sterimol/B3: 4.53889
  Sterimol/B4: 5.37336  Sterimol/L: 18.0939 
 
 Surface and Volume Properties
  Accessible surface: 622.32  Positive charged surface: 427.616  Negative charged surface: 194.705  Volume: 341.625
  Hydrophobic surface: 497.991  Hydrophilic surface: 124.329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00092168
ASINEX-ZINC00206293