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


NCID-ZINC01585064

 MMsINC code: MMs02241560
Type: Neutral
Formula: C32H32N2O2
SMILES:   Oc1ccc(cc1\C(=N\CCCC\N=C(/c1cc(ccc1O)C)\c1ccccc1)\c1ccccc1)C
InChI:   InChI=1/C32H32N2O2/c1-23-15-17-29(35)27(21-23)31(25-11-5-3-6-12-25)33-19-9-10-20-34-32(26-13-7-4-8-14-26)28-22-24(2)16-18-30(28)36/h3-8,11-18,21-22,35-36H,9-10,19-20H2,1-2H3/b33-31+,34-32+

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)=177.229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.62 g/mol  logS: -8.14186  SlogP: 6.86984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078282  Sterimol/B1: 3.79044  Sterimol/B2: 4.77407  Sterimol/B3: 5.68321
  Sterimol/B4: 6.41141  Sterimol/L: 21.4209 
 
 Surface and Volume Properties
  Accessible surface: 809.05  Positive charged surface: 509.34  Negative charged surface: 299.709  Volume: 494.625
  Hydrophobic surface: 723.99  Hydrophilic surface: 85.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.