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


ASINEX-ZINC02193499

 MMsINC code: MMs00264896
Type: Neutral
Formula: C17H20N2O
SMILES:   OC(CN(C)C)Cn1c2c(c3c1cccc3)cccc2
InChI:   InChI=1/C17H20N2O/c1-18(2)11-13(20)12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,13,20H,11-12H2,1-2H3/t13-/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)=67.4355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.36 g/mol  logS: -3.11082  SlogP: 2.9834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659616  Sterimol/B1: 2.31182  Sterimol/B2: 4.46276  Sterimol/B3: 4.86811
  Sterimol/B4: 7.02233  Sterimol/L: 13.6728 
 
 Surface and Volume Properties
  Accessible surface: 515.004  Positive charged surface: 347.525  Negative charged surface: 155.99  Volume: 281.625
  Hydrophobic surface: 484.476  Hydrophilic surface: 30.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00264897
ASINEX-ZINC02193499