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


PUBCHEM-ZINC06382478

 MMsINC code: MMs03697603
Type: Neutral
Formula: C17H23NO2
SMILES:   O(C)c1c2c(cccc2)c(cc1)C(O)CN(CC)CC
InChI:   InChI=1/C17H23NO2/c1-4-18(5-2)12-16(19)14-10-11-17(20-3)15-9-7-6-8-13(14)15/h6-11,16,19H,4-5,12H2,1-3H3/t16-/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)=90.7417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.376 g/mol  logS: -3.63647  SlogP: 3.3191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713683  Sterimol/B1: 2.81956  Sterimol/B2: 4.35225  Sterimol/B3: 4.52026
  Sterimol/B4: 5.48451  Sterimol/L: 14.9033 
 
 Surface and Volume Properties
  Accessible surface: 528.325  Positive charged surface: 360.655  Negative charged surface: 157.043  Volume: 289
  Hydrophobic surface: 448.219  Hydrophilic surface: 80.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03697604
PUBCHEM-ZINC06382478