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


PUBCHEM-ZINC00057584

 MMsINC code: MMs02630843
Type: Neutral
Formula: C18H23NO
SMILES:   O=C(N(C(C)C)C(C)C)Cc1c2c(ccc1)cccc2
InChI:   InChI=1/C18H23NO/c1-13(2)19(14(3)4)18(20)12-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,13-14H,12H2,1-4H3

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)=109.821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.388 g/mol  logS: -4.67321  SlogP: 4.02767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192621  Sterimol/B1: 2.40585  Sterimol/B2: 3.26123  Sterimol/B3: 5.66016
  Sterimol/B4: 6.31855  Sterimol/L: 12.9905 
 
 Surface and Volume Properties
  Accessible surface: 497.075  Positive charged surface: 294.731  Negative charged surface: 193.721  Volume: 290.125
  Hydrophobic surface: 407.664  Hydrophilic surface: 89.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.