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


PUBCHEM-ZINC02003156

 MMsINC code: MMs02844763
Type: Neutral
Formula: C18H24N2O
SMILES:   OC(C(NCc1ccc(N(C)C)cc1)C)c1ccccc1
InChI:   InChI=1/C18H24N2O/c1-14(18(21)16-7-5-4-6-8-16)19-13-15-9-11-17(12-10-15)20(2)3/h4-12,14,18-19,21H,13H2,1-3H3/t14-,18+/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)=92.7544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.403 g/mol  logS: -2.94536  SlogP: 3.3262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773935  Sterimol/B1: 2.02388  Sterimol/B2: 3.44437  Sterimol/B3: 3.79732
  Sterimol/B4: 9.01242  Sterimol/L: 14.746 
 
 Surface and Volume Properties
  Accessible surface: 561.149  Positive charged surface: 397.673  Negative charged surface: 163.476  Volume: 307.625
  Hydrophobic surface: 497.464  Hydrophilic surface: 63.685
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02844764
PUBCHEM-ZINC02003156