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


ASINEX-ZINC04525061

 MMsINC code: MMs00348586
Type: Neutral
Formula: C17H25NO2
SMILES:   O(C(=O)c1ccccc1)C1CC(N(CC1C)C(C)C)C
InChI:   InChI=1/C17H25NO2/c1-12(2)18-11-13(3)16(10-14(18)4)20-17(19)15-8-6-5-7-9-15/h5-9,12-14,16H,10-11H2,1-4H3/t13-,14+,16+/m1/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)=56.9358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.392 g/mol  logS: -3.40028  SlogP: 3.3507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226948  Sterimol/B1: 2.32342  Sterimol/B2: 4.12732  Sterimol/B3: 5.2561
  Sterimol/B4: 6.99374  Sterimol/L: 14.5353 
 
 Surface and Volume Properties
  Accessible surface: 523.192  Positive charged surface: 340.138  Negative charged surface: 183.054  Volume: 293.875
  Hydrophobic surface: 424.165  Hydrophilic surface: 99.027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00348587
ASINEX-ZINC04525061