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


PUBCHEM-ZINC03702816

 MMsINC code: MMs03049686
Type: Neutral
Formula: C17H19NO
SMILES:   Oc1cc2c(cc1)C(NCC2)c1cccc(C)c1C
InChI:   InChI=1/C17H19NO/c1-11-4-3-5-15(12(11)2)17-16-7-6-14(19)10-13(16)8-9-18-17/h3-7,10,17-19H,8-9H2,1-2H3/t17-/m0/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)=91.6649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.345 g/mol  logS: -3.66304  SlogP: 3.33961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200684  Sterimol/B1: 3.51275  Sterimol/B2: 4.29456  Sterimol/B3: 4.81828
  Sterimol/B4: 5.67037  Sterimol/L: 12.7182 
 
 Surface and Volume Properties
  Accessible surface: 472.49  Positive charged surface: 302.547  Negative charged surface: 169.943  Volume: 263.375
  Hydrophobic surface: 405.825  Hydrophilic surface: 66.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03049687
PUBCHEM-ZINC03702816