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


PUBCHEM-ZINC00340703

 MMsINC code: MMs02659118
Type: Neutral
Formula: C15H15NO2
SMILES:   OC(=O)c1ccc(nc1C)-c1ccc(cc1)CC
InChI:   InChI=1/C15H15NO2/c1-3-11-4-6-12(7-5-11)14-9-8-13(15(17)18)10(2)16-14/h4-9H,3H2,1-2H3,(H,17,18)

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)=66.3828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.29 g/mol  logS: -3.79385  SlogP: 3.31759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219155  Sterimol/B1: 2.03629  Sterimol/B2: 3.44264  Sterimol/B3: 4.16447
  Sterimol/B4: 4.25376  Sterimol/L: 16.0303 
 
 Surface and Volume Properties
  Accessible surface: 473.601  Positive charged surface: 284.923  Negative charged surface: 183.488  Volume: 240.25
  Hydrophobic surface: 355.969  Hydrophilic surface: 117.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02659119
PUBCHEM-ZINC00340703