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


PUBCHEM-ZINC02526006

 MMsINC code: MMs02893607
Type: Neutral
Formula: C20H19NO2
SMILES:   OC(=O)c1c2cc(ccc2nc(-c2ccc(cc2)C)c1C)CC
InChI:   InChI=1/C20H19NO2/c1-4-14-7-10-17-16(11-14)18(20(22)23)13(3)19(21-17)15-8-5-12(2)6-9-15/h5-11H,4H2,1-3H3,(H,22,23)

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)=89.2069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.377 g/mol  logS: -5.96153  SlogP: 4.77921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416182  Sterimol/B1: 2.03224  Sterimol/B2: 4.02817  Sterimol/B3: 4.29353
  Sterimol/B4: 6.19979  Sterimol/L: 17.1928 
 
 Surface and Volume Properties
  Accessible surface: 566.918  Positive charged surface: 328.265  Negative charged surface: 230.972  Volume: 310
  Hydrophobic surface: 442.395  Hydrophilic surface: 124.523
 
 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


MMs02893608
PUBCHEM-ZINC02526006