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


PUBCHEM-ZINC00575149

 MMsINC code: MMs02708051
Type: Neutral
Formula: C15H15NO2
SMILES:   OC(=O)c1cc(NCc2ccc(cc2)C)ccc1
InChI:   InChI=1/C15H15NO2/c1-11-5-7-12(8-6-11)10-16-14-4-2-3-13(9-14)15(17)18/h2-9,16H,10H2,1H3,(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)=52.3683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.29 g/mol  logS: -3.39256  SlogP: 3.57172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0517018  Sterimol/B1: 3.61721  Sterimol/B2: 3.61836  Sterimol/B3: 3.72459
  Sterimol/B4: 5.16222  Sterimol/L: 16.3467 
 
 Surface and Volume Properties
  Accessible surface: 494.254  Positive charged surface: 288.417  Negative charged surface: 205.837  Volume: 241.25
  Hydrophobic surface: 379.313  Hydrophilic surface: 114.941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02708052
PUBCHEM-ZINC00575149