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


IBS-ZINC02248733

 MMsINC code: MMs01814826
Type: Neutral
Formula: C27H23NO2
SMILES:   OC(C(=O)NC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C27H23NO2/c29-26(27(30,23-17-9-3-10-18-23)24-19-11-4-12-20-24)28-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,25,30H,(H,28,29)

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)=131.974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.486 g/mol  logS: -6.63217  SlogP: 5.2353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268967  Sterimol/B1: 2.94629  Sterimol/B2: 3.86369  Sterimol/B3: 6.36321
  Sterimol/B4: 8.41643  Sterimol/L: 14.8458 
 
 Surface and Volume Properties
  Accessible surface: 660.354  Positive charged surface: 366.143  Negative charged surface: 294.211  Volume: 398.75
  Hydrophobic surface: 621.385  Hydrophilic surface: 38.969
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.