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


PUBCHEM-ZINC05599717

 MMsINC code: MMs03319751
Type: Neutral
Formula: C18H19NO
SMILES:   OC(CN(C)C)c1c2c(c3c(c1)cccc3)cccc2
InChI:   InChI=1/C18H19NO/c1-19(2)12-18(20)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17/h3-11,18,20H,12H2,1-2H3/t18-/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)=102.17 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.356 g/mol  logS: -4.80955  SlogP: 3.6835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0636337  Sterimol/B1: 2.88057  Sterimol/B2: 4.05244  Sterimol/B3: 5.25778
  Sterimol/B4: 5.59313  Sterimol/L: 14.4373 
 
 Surface and Volume Properties
  Accessible surface: 494.414  Positive charged surface: 311.012  Negative charged surface: 164.429  Volume: 277.5
  Hydrophobic surface: 454.472  Hydrophilic surface: 39.942
 
 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


MMs03319752
PUBCHEM-ZINC05599717