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


NCID-ZINC01754732

 MMsINC code: MMs02364027
Type: Neutral
Formula: C15H15NO
SMILES:   OCCNC1c2c(-c3c1cccc3)cccc2
InChI:   InChI=1/C15H15NO/c17-10-9-16-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-17H,9-10H2

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)=66.9465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.291 g/mol  logS: -3.47162  SlogP: 2.4338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0912684  Sterimol/B1: 3.20442  Sterimol/B2: 3.4796  Sterimol/B3: 3.59896
  Sterimol/B4: 7.88096  Sterimol/L: 12.2737 
 
 Surface and Volume Properties
  Accessible surface: 454.043  Positive charged surface: 276.324  Negative charged surface: 166.316  Volume: 232.625
  Hydrophobic surface: 392.208  Hydrophilic surface: 61.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02364028
NCID-ZINC01754732