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


NCID-ZINC06003643

 MMsINC code: MMs02515026
Type: Neutral
Formula: C32H30N2O3
SMILES:   O(Cc1ccccc1)c1ccc(cc1)\C=C\C(=O)NCc1ccc(cc1)C(=O)NCCc1ccccc1
InChI:   InChI=1/C32H30N2O3/c35-31(20-15-26-13-18-30(19-14-26)37-24-28-9-5-2-6-10-28)34-23-27-11-16-29(17-12-27)32(36)33-22-21-25-7-3-1-4-8-25/h1-20H,21-24H2,(H,33,36)(H,34,35)/b20-15+

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)=108.058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.603 g/mol  logS: -7.59851  SlogP: 6.10047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.018235  Sterimol/B1: 3.1505  Sterimol/B2: 3.43017  Sterimol/B3: 4.28707
  Sterimol/B4: 9.84998  Sterimol/L: 28.4674 
 
 Surface and Volume Properties
  Accessible surface: 918.038  Positive charged surface: 522.119  Negative charged surface: 395.918  Volume: 497.5
  Hydrophobic surface: 807.657  Hydrophilic surface: 110.381
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.