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


PUBCHEM-ZINC02117976

 MMsINC code: MMs02873618
Type: Neutral
Formula: C29H25NO2
SMILES:   OC1(N(Cc2ccccc2)C(=O)c2c1cccc2)C(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C29H25NO2/c31-28-25-18-10-11-19-26(25)29(32,30(28)21-23-14-6-2-7-15-23)27(24-16-8-3-9-17-24)20-22-12-4-1-5-13-22/h1-19,27,32H,20-21H2/t27-,29+/m1/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)=122.675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.524 g/mol  logS: -6.70204  SlogP: 6.09207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.266067  Sterimol/B1: 3.19563  Sterimol/B2: 4.59793  Sterimol/B3: 5.90356
  Sterimol/B4: 9.70709  Sterimol/L: 15.669 
 
 Surface and Volume Properties
  Accessible surface: 656.729  Positive charged surface: 374.017  Negative charged surface: 282.712  Volume: 422.875
  Hydrophobic surface: 607.248  Hydrophilic surface: 49.481
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.