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


PUBCHEM-ZINC01999221

 MMsINC code: MMs02841697
Type: Neutral
Formula: C13H19NO2
SMILES:   O(CC)c1c2CCN(Cc2ccc1OC)C
InChI:   InChI=1/C13H19NO2/c1-4-16-13-11-7-8-14(2)9-10(11)5-6-12(13)15-3/h5-6H,4,7-9H2,1-3H3

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)=66.0297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.3 g/mol  logS: -1.86817  SlogP: 2.34817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496286  Sterimol/B1: 2.08323  Sterimol/B2: 2.7557  Sterimol/B3: 2.96708
  Sterimol/B4: 7.97857  Sterimol/L: 12.8914 
 
 Surface and Volume Properties
  Accessible surface: 460.899  Positive charged surface: 382.99  Negative charged surface: 77.9095  Volume: 230.875
  Hydrophobic surface: 419.615  Hydrophilic surface: 41.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs02841698
PUBCHEM-ZINC01999221